Molecule

ID:13487

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-9,14H,10H2
InChIKey
FTCFXBBBKDOQJA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)NCc1ccccn1
Isomeric Smiles
c1ccc(cc1)NCc1ncccc1
Calculated Properties
JChem
Acid pKa
19.942823
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0145724
LogD (pH = 7.4)
2.0340424
Log P
2.0342965
Molar Refractivity
58.1853
Polarizability
22.038858
Polar Surface Area
24.92
Rotatable Bonds
3
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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