Molecule

ID:32985

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H15ClN2O2/c1-13(2,3)12(18)16-10-7-6-9(5-4-8-17)15-11(10)14/h6-7,17H,8H2,1-3H3,(H,16,18)
InChIKey
WWRUIOPEMGVHOR-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1ccc(c(n1)Cl)NC(=O)C(C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C#CCO
Calculated Properties
JChem
Acid pKa
11.831571
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7093863
LogD (pH = 7.4)
2.7093713
Log P
2.7093866
Molar Refractivity
70.4084
Polarizability
26.854017
Polar Surface Area
62.22
Rotatable Bonds
4
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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