Molecule

ID:45397

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7-3-4-8(11)5-9(7)12-10(13)6-14-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
LIWSOVQWWQAGNM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=O)COC)N
Isomeric Smiles
c1(NC(=O)COC)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
13.028877
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.68991756
LogD (pH = 7.4)
0.720919
Log P
0.72133005
Molar Refractivity
57.116
Polarizability
20.651964
Polar Surface Area
64.35
Rotatable Bonds
3
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