Molecule

ID:64763

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O
Molecular Mass
269.13772
Exact Mass
268.02112505
Charge
0
InChI
InChI=1S/C11H13BrN2O/c12-10-4-5-13-11(9(10)8-15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKey
IUCVVPLFRSWSHW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Br)ccnc1N1CCCCC1
Isomeric Smiles
c1cnc(c(c1Br)C=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.76579
LogD (pH = 7.4)
2.789386
Log P
2.789696
Molar Refractivity
64.992
Polarizability
23.772432
Polar Surface Area
33.2
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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