Molecule

ID:82995

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁O₃P
Molecular Mass
352.363401
Exact Mass
352.12283116
Charge
0
InChI
InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
InChIKey
IIOSDXGZLBPOHD-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1P(c1ccccc1OC)c1ccccc1OC
Isomeric Smiles
P(c1ccccc1OC)(c1ccccc1OC)c1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3485
LogD (pH = 7.4)
4.3485
Log P
4.3485
Molar Refractivity
101.0125
Polarizability
39.789864
Polar Surface Area
27.69
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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