Molecule

ID:78430

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrN
Molecular Mass
186.04912
Exact Mass
184.98401126
Charge
0
InChI
InChI=1S/C7H8BrN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKey
JHGGKVFEGBEWQR-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)C)Br
Isomeric Smiles
n1c(c(cc(c1)C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7562284
LogD (pH = 7.4)
2.756685
Log P
2.7566907
Molar Refractivity
42.4485
Polarizability
15.8095
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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