Molecule

ID:87912

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂
Molecular Mass
243.13238
Exact Mass
242.03775375
Charge
0
InChI
InChI=1S/C11H10N2.2ClH/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;;/h1-8H,12H2;2*1H
InChIKey
PJNDCKBACHNFTA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccccn1.Cl.Cl
Isomeric Smiles
n1c(cccc1)c1cccc(c1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9182556
LogD (pH = 7.4)
1.9591802
Log P
1.9597231
Molar Refractivity
53.3657
Polarizability
21.627312
Polar Surface Area
38.91
Rotatable Bonds
1
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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