Molecule

ID:37649

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₃
Molecular Mass
239.655
Exact Mass
239.03492087
Charge
0
InChI
InChI=1S/C11H10ClNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKey
QPYOMMCYFFZXIT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)c1ccc(cc1)Cl
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.7772644
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.43943533
LogD (pH = 7.4)
-1.9879543
Log P
1.2847219
Molar Refractivity
57.8229
Polarizability
22.473703
Polar Surface Area
57.61
Rotatable Bonds
2
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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