Molecule

ID:88725

General Information
Structure
MolImage
Molecular Formula
C₂₅H₁₇Br
Molecular Mass
397.30648
Exact Mass
396.05136254
Charge
0
InChI
InChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKey
WNXNWOBGPRKOJF-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c2cccc1
Isomeric Smiles
Brc1cc2c(cc1)c1c(cccc1)C2(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.3624463
LogD (pH = 7.4)
7.3624463
Log P
7.3624463
Molar Refractivity
111.7099
Polarizability
44.151978
Polar Surface Area
0.0
Rotatable Bonds
2
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
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References
Bioactivity
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