Molecule

ID:103453

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClNO₂P
Molecular Mass
267.648001
Exact Mass
267.02159291
Charge
0
InChI
InChI=1S/C12H11ClNO2P/c13-17(15,14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
ZUQYQPGYEFBITH-UHFFFAOYSA-N
Canonic Smiles
ClP(=O)(Oc1ccccc1)Nc1ccccc1
Isomeric Smiles
ClP(=O)(Nc1ccccc1)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
12.384188
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0879624
LogD (pH = 7.4)
3.0879662
Log P
3.0879703
Molar Refractivity
68.6932
Polarizability
26.88193
Polar Surface Area
38.33
Rotatable Bonds
4
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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