Molecule

ID:71810

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
InChIKey
MCSAQVGDZLPTBS-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccnc1
Isomeric Smiles
c1ncccc1CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8059926
LogD (pH = 7.4)
-1.5001582
Log P
0.31392223
Molar Refractivity
37.1491
Polarizability
14.650284
Polar Surface Area
24.92
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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