Molecule

ID:70982

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrN
Molecular Mass
186.04912
Exact Mass
184.98401126
Charge
0
InChI
InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKey
VJNUZLYTGSGDHR-UHFFFAOYSA-N
Canonic Smiles
Brc1c(C)cccc1N
Isomeric Smiles
Nc1c(c(ccc1)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4222279
LogD (pH = 7.4)
2.42644
Log P
2.426494
Molar Refractivity
43.4224
Polarizability
16.011585
Polar Surface Area
26.02
Rotatable Bonds
0
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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