Molecule

ID:68725

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9)
InChIKey
VYPMWCUNCNMNOM-UHFFFAOYSA-N
Canonic Smiles
CNc1ncccc1CO
Isomeric Smiles
c1(c(cccn1)CO)NC
Calculated Properties
JChem
Acid pKa
14.660508
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7404352
LogD (pH = 7.4)
0.02205989
Log P
0.05545928
Molar Refractivity
41.2243
Polarizability
14.866544
Polar Surface Area
45.15
Rotatable Bonds
2
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