Molecule

ID:60706

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₄
Molecular Mass
253.63852
Exact Mass
253.01418542
Charge
0
InChI
InChI=1S/C11H8ClNO4/c12-5-9(14)17-6-13-8-4-2-1-3-7(8)10(15)11(13)16/h1-4H,5-6H2
InChIKey
GGGHGURZEKGMLW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCN1c2ccccc2C(=O)C1=O
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)COC(=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2140778
LogD (pH = 7.4)
1.2140778
Log P
1.2140778
Molar Refractivity
58.5974
Polarizability
22.79578
Polar Surface Area
63.68
Rotatable Bonds
4
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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