Molecule

ID:35806

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNO₃
Molecular Mass
299.7085
Exact Mass
299.03492087
Charge
0
InChI
InChI=1S/C16H10ClNO3/c17-10-5-7-11(8-6-10)18-9-14(16(20)21)12-3-1-2-4-13(12)15(18)19/h1-9H,(H,20,21)
InChIKey
MSLLYIWIWOXVLZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1cc(C(=O)O)c2c(c1=O)cccc2
Isomeric Smiles
c1(cn(c(=O)c2c1cccc2)c1ccc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9323294
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7771595
LogD (pH = 7.4)
-0.18109795
Log P
3.300996
Molar Refractivity
78.9141
Polarizability
29.948053
Polar Surface Area
57.61
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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