Molecule

ID:32961

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-8-5-4-7(6-15)13-9(8)12/h4-6H,1-3H3,(H,14,16)
InChIKey
LZRCTDNVNSXRKD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(n1)Cl)NC(=O)C(C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C=O
Calculated Properties
JChem
Acid pKa
11.499825
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.004087
LogD (pH = 7.4)
3.0040548
Log P
3.0040874
Molar Refractivity
64.5314
Polarizability
23.729078
Polar Surface Area
59.06
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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