Molecule

ID:110969

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
TYOXIFXYEIILLY-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc([nH]1)c1ccccc1
Isomeric Smiles
Cc1cnc([nH]1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.067428
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3122422
LogD (pH = 7.4)
1.9868441
Log P
2.0109162
Molar Refractivity
58.7059
Polarizability
19.215466
Polar Surface Area
28.68
Rotatable Bonds
1
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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