Molecule

ID:27100

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7(2)14-9-5-3-4-8(6-9)10(13)12-11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKey
PSKOADQLSXHEIN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)OC(C)C
Isomeric Smiles
C(=O)(c1cc(OC(C)C)ccc1)NN
Calculated Properties
JChem
Acid pKa
14.037261
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1422726
LogD (pH = 7.4)
1.1431113
Log P
1.1431221
Molar Refractivity
55.2511
Polarizability
20.788776
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