Molecule

ID:80818

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀BrP
Molecular Mass
383.261261
Exact Mass
382.04859927
Charge
0
InChI
InChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKey
XMPWFKHMCNRJCL-UHFFFAOYSA-M
Canonic Smiles
C1CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](C1CC1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9895773
LogD (pH = 7.4)
4.9895773
Log P
4.9895773
Molar Refractivity
94.4816
Polarizability
37.380898
Polar Surface Area
0.0
Rotatable Bonds
4
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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