Molecule

ID:19151

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChIKey
GGXGVZJHUKEJHO-UHFFFAOYSA-N
Canonic Smiles
CC(c1onc(c1)N)(C)C
Isomeric Smiles
c1c(noc1C(C)(C)C)N
Calculated Properties
JChem
Acid pKa
17.723442
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5681374
LogD (pH = 7.4)
1.5683771
Log P
1.5683802
Molar Refractivity
41.0573
Polarizability
14.739144
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation