Molecule

ID:80605

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5-3-6(4-9)7-8(5)2/h3,9H,4H2,1-2H3
InChIKey
XJBMHIHXRARJJS-UHFFFAOYSA-N
Canonic Smiles
OCc1nn(c(c1)C)C
Isomeric Smiles
n1c(cc(n1C)C)CO
Calculated Properties
JChem
Acid pKa
14.097878
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.085289456
LogD (pH = 7.4)
-0.08521176
Log P
-0.08521068
Molar Refractivity
46.4048
Polarizability
13.128994
Polar Surface Area
38.05
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
暂无数据
点击上传数据
References
Bioactivity
Navigation