Molecule

ID:14358

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c1-18-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(14)15-10/h2-7H,1H3,(H,16,17)
InChIKey
GSADYPSKQPUONA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1ccc(c(n1)Cl)C(=O)O
Isomeric Smiles
c1(c2c(cccc2)OC)nc(c(cc1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.62246
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2390798
LogD (pH = 7.4)
-0.22229277
Log P
3.1127825
Molar Refractivity
68.2508
Polarizability
27.180761
Polar Surface Area
59.42
Rotatable Bonds
3
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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