Molecule

ID:110268

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀BrN
Molecular Mass
176.0543
Exact Mass
174.99966133
Charge
0
InChI
InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey
PHOSWLARCIBBJZ-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCC#N
Isomeric Smiles
C(CCC#N)CCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9722534
LogD (pH = 7.4)
1.9722534
Log P
1.9722534
Molar Refractivity
38.0161
Polarizability
14.388931
Polar Surface Area
23.79
Rotatable Bonds
4
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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