Molecule

ID:26934

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃
Molecular Mass
241.67088
Exact Mass
241.05057093
Charge
0
InChI
InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
ZVRJEYAQESBSSH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)NC(=O)CCl
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCl)cc1)OCC
Calculated Properties
JChem
Acid pKa
12.798988
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.108585
LogD (pH = 7.4)
2.1085832
Log P
2.108585
Molar Refractivity
62.4481
Polarizability
23.355656
Polar Surface Area
55.4
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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