Molecule

ID:88670

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₉OP
Molecular Mass
354.380821
Exact Mass
354.11735186
Charge
0
InChI
InChI=1S/C24H19OP/c25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H
InChIKey
RTFMVYDUGUHDJT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1c1ccccc1P(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1c(cccc1)c1c(cccc1)O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.643818
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.506569
LogD (pH = 7.4)
6.504136
Log P
6.5066
Molar Refractivity
108.74
Polarizability
43.95844
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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