Molecule

ID:123557

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3,(H2,13,14)
InChIKey
SLSWQXZTEPDTDH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(N)cc(n2)C
Isomeric Smiles
c12c(nc(cc1N)C)c(cc(c2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.66443115
LogD (pH = 7.4)
1.1472512
Log P
2.4601874
Molar Refractivity
59.3536
Polarizability
23.44873
Polar Surface Area
38.91
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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