Molecule

ID:88959

General Information
Structure
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-14-10-11-3-2-4-13(9-11)12-5-7-15-8-6-12/h2-9,14H,10H2,1H3
InChIKey
PXCMPGTVPUZXRO-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)c1ccncc1
Isomeric Smiles
n1ccc(cc1)c1cccc(c1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3593881
LogD (pH = 7.4)
-0.3622482
Log P
1.9611475
Molar Refractivity
62.2853
Polarizability
25.728655
Polar Surface Area
24.92
Rotatable Bonds
3
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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