Molecule

ID:90094

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3
InChIKey
JQULCCZIXYRBSE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc([nH]2)C
Isomeric Smiles
[nH]1c2c(cc(cc2)N)cc1C
Calculated Properties
JChem
Acid pKa
17.560188
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.4341052
LogD (pH = 7.4)
1.4425347
Log P
1.4426432
Molar Refractivity
46.9946
Polarizability
18.50577
Polar Surface Area
41.81
Rotatable Bonds
0
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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