Molecule

ID:81098

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c1-7-6-8(2)11(10-7)9(3,4)5/h6H,1-5H3
InChIKey
WYVKQPSDGDWDEF-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)C)C(C)(C)C
Isomeric Smiles
n1(nc(C)cc1C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7832973
LogD (pH = 7.4)
1.7859629
Log P
1.785997
Molar Refractivity
58.5082
Polarizability
17.947166
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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