Molecule

ID:113288

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂N₂O
Molecular Mass
293.148
Exact Mass
292.01701831
Charge
0
InChI
InChI=1S/C14H10Cl2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)
InChIKey
CXKZUNIQSJXPPO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCc1nc2c([nH]1)cccc2
Isomeric Smiles
n1c([nH]c2c1cccc2)COc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.173814
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.037736
LogD (pH = 7.4)
4.106539
Log P
4.1075616
Molar Refractivity
74.9809
Polarizability
30.496464
Polar Surface Area
37.91
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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