Molecule

ID:40858

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃
Molecular Mass
182.1766
Exact Mass
182.06914219
Charge
0
InChI
InChI=1S/C8H10N2O3/c1-4-7(5(2)11)8(13)10(9-4)6(3)12/h7H,1-3H3
InChIKey
MYUDXBXLUNRVRM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1N=C(C(C1=O)C(=O)C)C
Isomeric Smiles
N1(C(=O)C(C(=N1)C)C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
13.8677435
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.30202135
LogD (pH = 7.4)
-0.30202132
Log P
-0.30202118
Molar Refractivity
44.2269
Polarizability
16.93104
Polar Surface Area
66.81
Rotatable Bonds
1
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