Molecule

ID:31996

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrN₂
Molecular Mass
175.02648
Exact Mass
173.97926023
Charge
0
InChI
InChI=1S/C5H7BrN2/c1-4-5(6)3-7-8(4)2/h3H,1-2H3
InChIKey
YWTIJBYUQXQACR-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Br)cnn1C
Isomeric Smiles
n1n(c(c(c1)Br)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3693379
LogD (pH = 7.4)
1.3694187
Log P
1.3694198
Molar Refractivity
47.7339
Polarizability
13.592788
Polar Surface Area
17.82
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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