Molecule

ID:60962

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-7-11(15)13(2)9-6-4-3-5-8(9)10(14)12-7/h3-7H,1-2H3,(H,12,14)
InChIKey
RYVWSUJRUVTCBS-UHFFFAOYSA-N
Canonic Smiles
O=C1C(C)NC(=O)c2c(N1C)cccc2
Isomeric Smiles
N1(C(=O)C(NC(=O)c2c1cccc2)C)C
Calculated Properties
JChem
Acid pKa
14.466997
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.41943184
LogD (pH = 7.4)
0.41943184
Log P
0.41943187
Molar Refractivity
55.9468
Polarizability
21.010733
Polar Surface Area
49.41
Rotatable Bonds
0
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