Molecule

ID:71496

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNO₄
Molecular Mass
315.7079
Exact Mass
315.02983549
Charge
0
InChI
InChI=1S/C16H10ClNO4/c1-8-2-4-10(7-13(8)17)18-14(19)11-5-3-9(16(21)22)6-12(11)15(18)20/h2-7H,1H3,(H,21,22)
InChIKey
CNBJIPBBZOKNFY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)Cl)C
Isomeric Smiles
Cc1c(cc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.490521
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3493186
LogD (pH = 7.4)
-0.028088735
Log P
3.3501065
Molar Refractivity
81.0913
Polarizability
30.127037
Polar Surface Area
74.68
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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