Molecule

ID:25606

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₃
Molecular Mass
287.6978
Exact Mass
287.03492087
Charge
0
InChI
InChI=1S/C15H10ClNO3/c1-8-5-6-13(20-8)12-7-10(15(18)19)9-3-2-4-11(16)14(9)17-12/h2-7H,1H3,(H,18,19)
InChIKey
NNNHXSKERHVLHI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1cc(C(=O)O)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1oc(cc1)C)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.5554135
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7470647
LogD (pH = 7.4)
0.32732576
Log P
3.6854117
Molar Refractivity
74.3451
Polarizability
30.748085
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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