Molecule
ID:80824
General Information
Molecular Formula
C₂₃H₁₉O₃P
Molecular Mass
374.368921
Exact Mass
374.1071811
Charge
0
InChI
InChI=1S/C23H19O3P/c24-21-16-15-17-9-7-8-14-20(17)22(21)23(25)27(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-16,23-25H
InChIKey
LOJFEDRVGMMLQX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1C(P(=O)(c1ccccc1)c1ccccc1)O)cccc2
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1c2c(ccc1O)cccc2)O
Calculated Properties
JChem
Acid pKa
9.559956
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.1805625
LogD (pH = 7.4)
5.1776133
Log P
5.1806
Molar Refractivity
107.4552
Polarizability
43.539753
Polar Surface Area
57.53
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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