Molecule

ID:120349

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
InChIKey
YBRVSVVVWCFQMG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cc1ccc(cc1)N
Isomeric Smiles
c1(N)ccc(Cc2ccc(N)cc2)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.41
LogD (pH = 5.5)
2.32
Log P
2.41
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.83
Polar Surface Area
52.04
Polarizability
22.55
Molar Refractivity
65.20
LOG S
-3.03
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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