Molecule

ID:68992

General Information
Structure
Molecular Formula
C₆H₁₂BrNO
Molecular Mass
194.06958
Exact Mass
193.01022601
Charge
0
InChI
InChI=1S/C6H12BrNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
InChIKey
CVMXEDZZSWLXPB-UHFFFAOYSA-N
Canonic Smiles
BrCCN1CCOCC1
Isomeric Smiles
N1(CCOCC1)CCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.39369467
LogD (pH = 7.4)
0.8125657
Log P
0.82165414
Molar Refractivity
41.3894
Polarizability
16.058933
Polar Surface Area
12.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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