Mrv0541 08311314172D          

 10 10  0  0  0  0            999 V2000
   -0.3464   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617    0.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9184   -0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5752   -1.8616    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0869    1.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896    0.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094   -0.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1112    0.5163    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
  2 10  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01148

> <DATABASE_NAME>
drugbank

> <SMILES>
NP(O)(=O)[N]1(CCCl)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C4H11ClN2O2P/c5-1-2-7(3-4-7)10(6,8)9/h1-4H2,(H3,6,8,9)

> <INCHI_KEY>
AXYIDNWUNNCROG-UHFFFAOYSA-N

> <FORMULA>
C4H11ClN2O2P

> <MOLECULAR_WEIGHT>
185.569

> <EXACT_MASS>
185.024666825

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.898283381578171

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
amino[1-(2-chloroethyl)-1lambda4-aziridin-1-yl]phosphinic acid

> <ALOGPS_LOGP>
-0.77

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_POLAR_SURFACE_AREA>
63.32000000000001

> <JCHEM_REFRACTIVITY>
41.58710000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET01148

> <NAME>
Phosphoramide Aziridinium

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