Molecule

ID:128494

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9,13H2
InChIKey
NULAJYZBOLVQPQ-UHFFFAOYSA-N
Canonic Smiles
NCCNc1cccc2c1cccc2
Isomeric Smiles
c1cccc2cccc(NCCN)c12
Calculated Properties
JChem
LogD (pH = 7.4)
-0.52
LogD (pH = 5.5)
-1.36
Log P
1.64
Rotatable Bonds
3
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.62
Polar Surface Area
38.05
Polarizability
21.63
Molar Refractivity
60.65
LOG S
-3.12
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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