Molecule

ID:33069

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-5-7(4-8-3)6(2)10-9-5/h8H,4H2,1-3H3
InChIKey
KUSBHINLXPYBKU-UHFFFAOYSA-N
Canonic Smiles
CNCc1c(C)noc1C
Isomeric Smiles
c1(c(onc1C)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6951525
LogD (pH = 7.4)
-1.0936782
Log P
0.22707154
Molar Refractivity
40.4892
Polarizability
15.045702
Polar Surface Area
38.06
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
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Molecule Details
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References
Bioactivity
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