Mrv1652309042000252D          

 11 10  0  0  0  0            999 V2000
    9.9354   -6.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6459   -6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3563   -6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   -6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7889   -6.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   -5.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3563   -7.5521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2135   -6.3176    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914   -5.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8058   -7.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6210   -5.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  2  0  0  0  0
  5  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB006190

> <DATABASE_NAME>
M2MDB

> <SMILES>
NC(COP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

> <INCHI_KEY>
BZQFBWGGLXLEPQ-UHFFFAOYSA-N

> <FORMULA>
C3H8NO6P

> <MOLECULAR_WEIGHT>
185.0725

> <EXACT_MASS>
185.008923505

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
14.008769274759121

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-(phosphonooxy)propanoic acid

> <ALOGPS_LOGP>
-2.32

> <JCHEM_LOGP>
-3.180275047030002

> <ALOGPS_LOGS>
-0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.0667419682108834

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1985006020847053

> <JCHEM_PKA_STRONGEST_BASIC>
9.39423622748354

> <JCHEM_POLAR_SURFACE_AREA>
130.08

> <JCHEM_REFRACTIVITY>
32.913900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
P-serine

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB24073

> <GENERIC_NAME>
DL-O-Phosphoserine

$$$$