Molecule

ID:15842

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
InChIKey
FFBWKPKOXRMLNP-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2CN
Calculated Properties
JChem
Acid pKa
16.341732
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.8026702
LogD (pH = 7.4)
-0.9797658
Log P
1.1977762
Molar Refractivity
45.6179
Polarizability
19.00871
Polar Surface Area
41.81
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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