Molecule
ID:88324
General Information
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2
InChIKey
GUEXBHONHJVHTM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
O=C1c2c(cccc2)C(=O)N1CC(=O)CCl
Calculated Properties
JChem
Acid pKa
16.299482
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2620517
LogD (pH = 7.4)
1.2620517
Log P
1.2620517
Molar Refractivity
58.6004
Polarizability
21.671597
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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