Molecule

ID:70886

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7H,12H2,1-2H3
InChIKey
IJUCGGBOPBJYSG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1N)C(C)C
Isomeric Smiles
C(#N)c1c(ccc(c1)C(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.244592
LogD (pH = 7.4)
2.2454147
Log P
2.2454252
Molar Refractivity
50.6708
Polarizability
18.756035
Polar Surface Area
49.81
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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