Molecule

ID:75796

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄BrNO
Molecular Mass
268.14966
Exact Mass
267.02587607
Charge
0
InChI
InChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9H2
InChIKey
FAWHDSQLJDVROW-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)CC(=O)N1CCCC1
Isomeric Smiles
N1(CCCC1)C(=O)Cc1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4259536
LogD (pH = 7.4)
2.4259536
Log P
2.4259536
Molar Refractivity
64.145
Polarizability
24.613503
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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