Molecule

ID:36034

General Information
Structure
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,13H,6-8H2,1H3
InChIKey
FYHWPFXPFFPQRT-UHFFFAOYSA-N
Canonic Smiles
CN1CCc2c(C1)c1ccccc1[nH]2
Isomeric Smiles
C1Cc2[nH]c3ccccc3c2CN1C
Calculated Properties
JChem
Acid pKa
15.916617
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.36378002
LogD (pH = 7.4)
1.3181887
Log P
1.7445928
Molar Refractivity
58.9847
Polarizability
23.710604
Polar Surface Area
19.03
Rotatable Bonds
0
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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