Molecule

ID:33150

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
QHCCOYAKYCWDOJ-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2c([nH]1)cccc2
Isomeric Smiles
n1c([nH]c2c1cccc2)CC
Calculated Properties
JChem
Acid pKa
12.577899
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3752043
LogD (pH = 7.4)
2.057295
Log P
2.0831046
Molar Refractivity
44.0361
Polarizability
18.31244
Polar Surface Area
28.68
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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