Molecule

ID:16182

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂BrNO
Molecular Mass
206.08028
Exact Mass
205.01022601
Charge
0
InChI
InChI=1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKey
GWJIPNKXIAJCPA-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)N1CCCCC1
Isomeric Smiles
N1(C(=O)CBr)CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.990269
LogD (pH = 7.4)
0.990269
Log P
0.990269
Molar Refractivity
44.138
Polarizability
16.924097
Polar Surface Area
20.31
Rotatable Bonds
1
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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