Molecule

ID:23962

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆Cl₂N₂
Molecular Mass
271.18554
Exact Mass
270.06905388
Charge
0
InChI
InChI=1S/C13H14N2.2ClH/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11;;/h2-9,13H,14H2,1H3;2*1H
InChIKey
YXGXZKIFXHVRKN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1C(c1ccncc1)N.Cl.Cl
Isomeric Smiles
c1(C(c2ccncc2)N)c(C)cccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.683672
LogD (pH = 7.4)
0.7292065
Log P
2.1790035
Molar Refractivity
61.6985
Polarizability
24.202457
Polar Surface Area
38.91
Rotatable Bonds
2
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
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References
Bioactivity
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