Molecule

ID:66495

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂
Molecular Mass
257.15896
Exact Mass
256.05340382
Charge
0
InChI
InChI=1S/C12H12N2.2ClH/c1-9-3-2-4-10(7-9)11-5-6-12(13)14-8-11;;/h2-8H,1H3,(H2,13,14);2*1H
InChIKey
UCDJTOHSVIEJLP-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccc(nc1)N.Cl.Cl
Isomeric Smiles
c1(ccc(cn1)c1cc(ccc1)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8751925
LogD (pH = 7.4)
2.647196
Log P
2.6817517
Molar Refractivity
59.0924
Polarizability
23.383783
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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