Molecule
ID:63815
General Information
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2
InChIKey
ZEQHPUCQCWTFRP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCC(=O)Cl
Calculated Properties
JChem
Acid pKa
19.059324
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1654248
LogD (pH = 7.4)
1.1654248
Log P
1.1654248
Molar Refractivity
58.854
Polarizability
21.705442
Polar Surface Area
54.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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