Molecule

ID:35715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrClNO₂
Molecular Mass
292.55684
Exact Mass
290.96616828
Charge
0
InChI
InChI=1S/C10H11BrClNO2/c1-6(11)10(14)13-8-5-7(12)3-4-9(8)15-2/h3-6H,1-2H3,(H,13,14)
InChIKey
FVGXKHAYCWEYQC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(Br)C)Cl
Isomeric Smiles
N(C(=O)C(Br)C)c1cc(ccc1OC)Cl
Calculated Properties
JChem
Acid pKa
11.867983
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9489326
LogD (pH = 7.4)
2.9489188
Log P
2.948933
Molar Refractivity
64.4196
Polarizability
24.293802
Polar Surface Area
38.33
Rotatable Bonds
3
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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