Molecule

ID:33330

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-5-13-9(12)7-11-10(8(3)4)14-6-2/h8H,5-7H2,1-4H3/b11-10+
InChIKey
AEDOKNSOQOBISE-ZHACJKMWSA-N
Canonic Smiles
CCOC(=O)C/N=C(\C(C)C)/OCC
Isomeric Smiles
N(=C(\C(C)C)/OCC)\CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7067227
LogD (pH = 7.4)
1.7068332
Log P
1.7068347
Molar Refractivity
54.1878
Polarizability
21.352358
Polar Surface Area
47.89
Rotatable Bonds
7
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