Molecule

ID:81064

General Information
Structure
Molecular Formula
C₁₃H₈Cl₂N₂
Molecular Mass
263.12202
Exact Mass
262.00645363
Charge
0
InChI
InChI=1S/C13H8Cl2N2/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16-17/h1-8H
InChIKey
HBRHFXIYYQCUPG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1nc2c(c1Cl)cccc2
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(c2ccccc2n1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.357488
LogD (pH = 7.4)
4.3574915
Log P
4.3574915
Molar Refractivity
70.1086
Polarizability
28.686977
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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