Molecule

ID:16481

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,13H2,1-2H3
InChIKey
OGCFQHCSVLMKFD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c2ccc(cc2)N)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4175502
LogD (pH = 7.4)
1.7997118
Log P
1.8076
Molar Refractivity
70.8102
Polarizability
23.030853
Polar Surface Area
30.95
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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