Molecule

ID:63073

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,11H2,1-2H3
InChIKey
HRWCKMHTQMYUSL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)c(c(c1)C)N
Isomeric Smiles
c1(N)c(C)cc(C#N)cc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0272214
LogD (pH = 7.4)
2.0272584
Log P
2.0272589
Molar Refractivity
46.5624
Polarizability
16.832117
Polar Surface Area
49.81
Rotatable Bonds
0
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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