Molecule
ID:53779
General Information
Molecular Formula
C₈H₁₅NO₅
Molecular Mass
205.2084
Exact Mass
205.09502259
Charge
0
InChI
InChI=1S/C8H15NO5/c1-2-5-8(10)13-6-3-4-7-14-9(11)12/h2-7H2,1H3
InChIKey
YYJAHXNFALPURE-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OCCCCO[N+](=O)[O-]
Isomeric Smiles
[N+](=O)([O-])OCCCCOC(=O)CCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8798248
LogD (pH = 7.4)
1.8798248
Log P
1.8798248
Molar Refractivity
49.137
Polarizability
18.989597
Polar Surface Area
81.35
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...