Molecule

ID:130024

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅O₄P
Molecular Mass
326.283061
Exact Mass
326.07079559
Charge
0
InChI
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKey
XZZNDPSIHUTMOC-UHFFFAOYSA-N
Canonic Smiles
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
5.09
LogD (pH = 5.5)
5.09
Log P
5.09
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-9.40
Polar Surface Area
44.76
Polarizability
30.30
Molar Refractivity
87.43
LOG S
-6.08
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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