Molecule

ID:57216

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7,11H2
InChIKey
OPCQDOJDTZBLEJ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1nccc2
Isomeric Smiles
c1cc(c2c(c1)cccn2)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.734049
LogD (pH = 7.4)
-0.8110198
Log P
1.2566689
Molar Refractivity
48.4527
Polarizability
20.426851
Polar Surface Area
38.91
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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