Molecule

ID:79651

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃OP
Molecular Mass
228.226181
Exact Mass
228.07040167
Charge
0
InChI
InChI=1S/C14H13OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2
InChIKey
CQCGPNRIAFVNBY-UHFFFAOYSA-N
Canonic Smiles
C=CP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6841
LogD (pH = 7.4)
3.6841
Log P
3.6841
Molar Refractivity
67.0738
Polarizability
26.815725
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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