Molecule

ID:57035

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₃
Molecular Mass
287.6978
Exact Mass
287.03492087
Charge
0
InChI
InChI=1S/C15H10ClNO3/c1-8-11(16)5-4-9-10(15(18)19)7-12(17-14(8)9)13-3-2-6-20-13/h2-7H,1H3,(H,18,19)
InChIKey
LBDDNHWXGNSKHL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccco1
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccco1)C(=O)O)C)Cl
Calculated Properties
JChem
Acid pKa
3.571962
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0768569
LogD (pH = 7.4)
0.6466452
Log P
3.9992719
Molar Refractivity
74.2366
Polarizability
30.727081
Polar Surface Area
63.33
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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