Molecule

ID:74875

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀BrOP
Molecular Mass
387.249961
Exact Mass
386.04351389
Charge
0
InChI
InChI=1S/C20H20OP.BrH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKey
NOCGROPYCGRERZ-UHFFFAOYSA-M
Canonic Smiles
COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)COC.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3299503
LogD (pH = 7.4)
4.3299503
Log P
4.3299503
Molar Refractivity
93.3594
Polarizability
36.911068
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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