Molecule

ID:70200

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁P
Molecular Mass
304.365201
Exact Mass
304.1380873
Charge
0
InChI
InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
COIOYMYWGDAQPM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1P(c1ccccc1C)c1ccccc1C
Isomeric Smiles
P(c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.5082
LogD (pH = 7.4)
6.5082
Log P
6.5082
Molar Refractivity
96.7465
Polarizability
37.639748
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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