Molecule

ID:129796

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3
InChIKey
LPIJOZBIVDCQTE-UHFFFAOYSA-N
Canonic Smiles
CC1NCCc2c1[nH]c1c2cccc1
Isomeric Smiles
CC1NCCc2c1[nH]c1ccccc21
Calculated Properties
JChem
Acid pKa
16.388922
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0770355
LogD (pH = 7.4)
0.3116203
Log P
2.0068214
Molar Refractivity
57.9984
Polarizability
23.712196
Polar Surface Area
27.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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