Molecule

ID:83016

General Information
Structure
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Molecular Formula
C₁₃H₁₃OP
Molecular Mass
216.215481
Exact Mass
216.07040167
Charge
0
InChI
InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
PEGCITODQASXKH-UHFFFAOYSA-N
Canonic Smiles
CP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1791
LogD (pH = 7.4)
3.1791
Log P
3.1791
Molar Refractivity
63.3716
Polarizability
25.203615
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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