Molecule

ID:84773

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₃
Molecular Mass
294.7335
Exact Mass
294.07712003
Charge
0
InChI
InChI=1S/C14H15ClN2O3/c1-20-14(19)12(17-13(18)7-15)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,12,16H,6-7H2,1H3,(H,17,18)
InChIKey
KDURQOJTVSURJA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCl
Isomeric Smiles
[nH]1cc(c2c1cccc2)CC(C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.178552
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6784534
LogD (pH = 7.4)
1.6778214
Log P
1.6784616
Molar Refractivity
75.1689
Polarizability
30.381681
Polar Surface Area
71.19
Rotatable Bonds
6
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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