Molecule

ID:17562

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₂
Molecular Mass
225.67148
Exact Mass
225.05565631
Charge
0
InChI
InChI=1S/C11H12ClNO2/c12-10-3-1-8(2-4-10)5-13-6-9(7-13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChIKey
CIGFGPCMKDFZCT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C1)Cc1ccc(cc1)Cl
Isomeric Smiles
N1(CC(C1)C(=O)O)Cc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
2.757329
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6860134
LogD (pH = 7.4)
-0.8549088
Log P
-0.6854613
Molar Refractivity
58.2774
Polarizability
22.728497
Polar Surface Area
40.54
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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