Molecule

ID:69186

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3
InChIKey
VXDPOGVDHHJTDY-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccc(cc1)N)(C)C
Isomeric Smiles
C(#N)C(C)(C)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9158348
LogD (pH = 7.4)
1.9387178
Log P
1.9390177
Molar Refractivity
50.1208
Polarizability
18.681498
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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