Molecule

ID:83031

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅O₃P
Molecular Mass
298.272961
Exact Mass
298.07588097
Charge
0
InChI
InChI=1S/C17H15O3P/c18-17(16-12-7-13-20-16)21(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17-18H
InChIKey
QSQNTHAUQYOCHE-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)c1ccco1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1ccco1)O
Calculated Properties
JChem
Acid pKa
11.816075
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4111998
LogD (pH = 7.4)
3.4111834
Log P
3.4112
Molar Refractivity
81.415
Polarizability
32.24554
Polar Surface Area
50.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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