Molecule

ID:118863

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂N₂
Molecular Mass
275.13272
Exact Mass
274.00645363
Charge
0
InChI
InChI=1S/C14H8Cl2N2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKey
HRDLKQWYHGPZOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2
Isomeric Smiles
n1c(nc2c(c1Cl)cccc2)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.207803
LogD (pH = 7.4)
5.2078214
Log P
5.2078214
Molar Refractivity
84.8825
Polarizability
30.138844
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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