Molecule

ID:63176

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀BrN
Molecular Mass
176.0543
Exact Mass
174.99966133
Charge
0
InChI
InChI=1S/C6H10BrN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKey
AEZMVSLMBQQJOA-UHFFFAOYSA-N
Canonic Smiles
CN1CCC=C(C1)Br
Isomeric Smiles
CN1CC(=CCC1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.13952054
LogD (pH = 7.4)
1.1259608
Log P
1.2359924
Molar Refractivity
40.6269
Polarizability
15.04922
Polar Surface Area
3.24
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
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References
Bioactivity
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