Molecule

ID:74885

General Information
Structure
MolImage
Molecular Formula
C₇H₉O₃P
Molecular Mass
172.118321
Exact Mass
172.02893078
Charge
0
InChI
InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKey
OGBVRMYSNSKIEF-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(Cc1ccccc1)O
Isomeric Smiles
P(=O)(O)(Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
1.7334374
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7468
LogD (pH = 7.4)
-1.8203443
Log P
0.5451251
Molar Refractivity
41.9144
Polarizability
16.386345
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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