Molecule

ID:118626

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2,(H,8,9)
InChIKey
KAWYASGZISVRAL-UHFFFAOYSA-N
Canonic Smiles
C1CCc2c(C1)[nH]cn2
Isomeric Smiles
n1c2c([nH]c1)CCCC2
Calculated Properties
JChem
Acid pKa
14.74093
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.017175874
LogD (pH = 7.4)
0.7804192
Log P
0.94503963
Molar Refractivity
36.1027
Polarizability
13.62133
Polar Surface Area
28.68
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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