Molecule
ID:34904
General Information
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-6-3-7(2)9-8(4-6)5-10-11-9/h3-5H,1-2H3,(H,10,11)
InChIKey
VHRWRRDBAJITLR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)cn[nH]2
Isomeric Smiles
c12c([nH]nc2)c(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
13.962497
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3230731
LogD (pH = 7.4)
2.3231478
Log P
2.3231504
Molar Refractivity
46.1555
Polarizability
18.224787
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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