Molecule

ID:8568

General Information
Structure
MolImage
Molecular Formula
C₅H₈BrN
Molecular Mass
162.02772
Exact Mass
160.98401126
Charge
0
InChI
InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
InChIKey
NWWWGAKVHCSAEU-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC#N
Isomeric Smiles
N#CCCCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5276848
LogD (pH = 7.4)
1.5276848
Log P
1.5276848
Molar Refractivity
33.4151
Polarizability
12.592899
Polar Surface Area
23.79
Rotatable Bonds
3
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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