Molecule

ID:28797

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₂N₂
Molecular Mass
267.15378
Exact Mass
266.03775375
Charge
0
InChI
InChI=1S/C13H12Cl2N2/c14-12-4-3-11(13(15)6-12)9-17-8-10-2-1-5-16-7-10/h1-7,17H,8-9H2
InChIKey
GACLOGVSUIRUNK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CNCc1cccnc1
Isomeric Smiles
c1(c(ccc(c1)Cl)CNCc1cnccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9241822
LogD (pH = 7.4)
2.6474826
Log P
3.2464848
Molar Refractivity
71.3713
Polarizability
27.959232
Polar Surface Area
24.92
Rotatable Bonds
4
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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