Molecule

ID:40382

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄BrNO
Molecular Mass
268.14966
Exact Mass
267.02587607
Charge
0
InChI
InChI=1S/C12H14BrNO/c13-11-5-4-10(9-15)12(8-11)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKey
XXUZQWXJQVBTTG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1N1CCCCC1)Br
Isomeric Smiles
c1(N2CCCCC2)c(ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4128869
LogD (pH = 7.4)
3.4129105
Log P
3.4129107
Molar Refractivity
66.8354
Polarizability
24.600874
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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