Molecule

ID:55330

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3
InChIKey
OOTKJPZEEVPWCR-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccn1
Isomeric Smiles
c1cnc(cc1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.37277
LogD (pH = 7.4)
-0.6848164
Log P
0.39539412
Molar Refractivity
36.6269
Polarizability
14.65115
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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