Molecule

ID:40023

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO₂
Molecular Mass
308.5993
Exact Mass
306.99746841
Charge
0
InChI
InChI=1S/C11H14BrNO2.ClH/c1-13-11-7(5-14)6-15-10-3-2-8(12)4-9(10)11;/h2-4,7,11,13-14H,5-6H2,1H3;1H
InChIKey
RIURJDIGVQOCRB-UHFFFAOYSA-N
Canonic Smiles
CNC1C(CO)COc2c1cc(Br)cc2.Cl
Isomeric Smiles
c12C(C(COc1ccc(c2)Br)CO)NC.Cl
Calculated Properties
JChem
Acid pKa
15.337261
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5412048
LogD (pH = 7.4)
0.048894305
Log P
1.394602
Molar Refractivity
61.9429
Polarizability
24.42631
Polar Surface Area
41.49
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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