Molecule

ID:30075

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₃
Molecular Mass
239.655
Exact Mass
239.03492087
Charge
0
InChI
InChI=1S/C11H10ClNO3/c1-6-11(15)13-8-4-7(9(14)5-12)2-3-10(8)16-6/h2-4,6H,5H2,1H3,(H,13,15)
InChIKey
FXGLAGVWVUQWSL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)NC(=O)C(O2)C
Isomeric Smiles
N1C(=O)C(Oc2c1cc(C(=O)CCl)cc2)C
Calculated Properties
JChem
Acid pKa
11.402401
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4183689
LogD (pH = 7.4)
1.4183285
Log P
1.4183695
Molar Refractivity
60.475
Polarizability
22.637066
Polar Surface Area
55.4
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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