Molecule

ID:122443

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂
Molecular Mass
211.6449
Exact Mass
211.04000625
Charge
0
InChI
InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
VMMDOCYDNRLESP-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1)NC(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)CCl)cc1)C
Calculated Properties
JChem
Acid pKa
13.754814
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3059475
LogD (pH = 7.4)
1.3059473
Log P
1.3059475
Molar Refractivity
56.077
Polarizability
20.798286
Polar Surface Area
46.17
Rotatable Bonds
3
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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