Molecule

ID:38363

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄BrNO₂
Molecular Mass
296.15976
Exact Mass
295.02079069
Charge
0
InChI
InChI=1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChIKey
QKVHAKICMNABGB-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
O=C1N(C(=O)c2c1cccc2)CCCCCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7889752
LogD (pH = 7.4)
2.7889752
Log P
2.7889752
Molar Refractivity
70.6493
Polarizability
26.08804
Polar Surface Area
37.38
Rotatable Bonds
5
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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