Molecule

ID:80651

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
GIPOQOUSJKAZMC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnn1c1ccccc1
Isomeric Smiles
n1(c2ccccc2)nccc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.258454
LogD (pH = 7.4)
2.2586236
Log P
2.2586257
Molar Refractivity
49.5694
Polarizability
19.21141
Polar Surface Area
17.82
Rotatable Bonds
1
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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