Molecule

ID:27070

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H15ClN2O2/c14-9-12(17)15-11-5-3-10(4-6-11)13(18)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,17)
InChIKey
KAOSIVGXRNZEQY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)C(=O)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1ccc(NC(=O)CCl)cc1
Calculated Properties
JChem
Acid pKa
12.959257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4520893
LogD (pH = 7.4)
1.4520887
Log P
1.4520899
Molar Refractivity
72.087
Polarizability
26.54242
Polar Surface Area
49.41
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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