Molecule

ID:90523

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKey
LNIMMWYNSBZESE-UHFFFAOYSA-N
Canonic Smiles
CCc1nccnc1C
Isomeric Smiles
n1c(c(ncc1)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.50113344
LogD (pH = 7.4)
0.5011766
Log P
0.50117713
Molar Refractivity
35.5541
Polarizability
13.904727
Polar Surface Area
25.78
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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