Molecule

ID:72173

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c10-4-6-8-7(11-9-6)5-2-1-3-5/h5,10H,1-4H2
InChIKey
XGAMUGSDYPGXST-UHFFFAOYSA-N
Canonic Smiles
OCc1noc(n1)C1CCC1
Isomeric Smiles
n1c(onc1CO)C1CCC1
Calculated Properties
JChem
Acid pKa
13.227349
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.846627
LogD (pH = 7.4)
0.8466264
Log P
0.846627
Molar Refractivity
39.4416
Polarizability
14.541196
Polar Surface Area
59.15
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