Molecule

ID:83006

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁OP
Molecular Mass
320.364601
Exact Mass
320.13300192
Charge
0
InChI
InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
RDLZJCXTAYHYHX-UHFFFAOYSA-N
Canonic Smiles
O=P(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
P(=O)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6336417
LogD (pH = 7.4)
3.6336417
Log P
3.6336417
Molar Refractivity
98.0682
Polarizability
38.38317
Polar Surface Area
17.07
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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