Molecule

ID:9967

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3
InChIKey
DJLLTFRHLPVCEL-UHFFFAOYSA-N
Canonic Smiles
CCCc1cnccn1
Isomeric Smiles
c1cncc(n1)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8143529
LogD (pH = 7.4)
0.81437534
Log P
0.81437564
Molar Refractivity
35.5636
Polarizability
13.981876
Polar Surface Area
25.78
Rotatable Bonds
2
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
References
Bioactivity
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