Molecule

ID:109693

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂
Molecular Mass
214.65038
Exact Mass
214.02977591
Charge
0
InChI
InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
InChIKey
XDUUQOQFSWSZSM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2cccnc2c2c1cccn2
Isomeric Smiles
Clc1cc2c(nccc2)c2c1cccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8820417
LogD (pH = 7.4)
2.892465
Log P
2.8925998
Molar Refractivity
58.7054
Polarizability
25.50979
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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