Molecule

ID:57575

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀BrNO
Molecular Mass
192.0537
Exact Mass
190.99457595
Charge
0
InChI
InChI=1S/C6H10BrNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
InChIKey
BVAQGSLQZNUFHQ-UHFFFAOYSA-N
Canonic Smiles
BrCCN1CCCC1=O
Isomeric Smiles
C1CCN(C1=O)CCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.49405184
LogD (pH = 7.4)
0.49405187
Log P
0.49405187
Molar Refractivity
39.4814
Polarizability
15.124786
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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