Molecule

ID:13975

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,13H2,1-2H3
InChIKey
PFZUTDHSWLXVSZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1c(C)ccc1C
Isomeric Smiles
c1(n2c(ccc2C)C)cc(ccc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3976085
LogD (pH = 7.4)
2.5034282
Log P
2.5049613
Molar Refractivity
70.8102
Polarizability
23.036333
Polar Surface Area
30.95
Rotatable Bonds
1
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
References
Bioactivity
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