Molecule

ID:84500

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-9(2)6-5-7(10)8(11-3)12-4/h5-6,8H,1-4H3
InChIKey
DFZIBCAWOSFLFR-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)/C=C/N(C)C)OC
Isomeric Smiles
O=C(/C=C/N(C)C)C(OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.19413051
LogD (pH = 7.4)
0.6008088
Log P
0.630873
Molar Refractivity
46.95
Polarizability
17.848103
Polar Surface Area
38.77
Rotatable Bonds
5
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