Molecule

ID:89801

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆BrP
Molecular Mass
343.197401
Exact Mass
342.01729914
Charge
0
InChI
InChI=1S/C18H15P.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H
InChIKey
CMSYDJVRTHCWFP-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)c1ccccc1.Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1066
LogD (pH = 7.4)
5.1066
Log P
5.1066
Molar Refractivity
81.6229
Polarizability
32.34495
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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