Molecule

ID:30068

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
InChIKey
VKKZSJQQRIGUIE-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc2c(c1)cccc2
Isomeric Smiles
n1c2c(cc(c1)CN)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6866095
LogD (pH = 7.4)
-0.49652582
Log P
1.2566689
Molar Refractivity
48.4527
Polarizability
20.426117
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
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References
Bioactivity
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