Molecule

ID:8402

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3/b8-6+
InChIKey
JGFBGRHDJMANRR-SOFGYWHQSA-N
Canonic Smiles
COc1cc(ccc1OC)/C=C(/[N+](=O)[O-])\C
Isomeric Smiles
c1cc(c(cc1/C=C(\C)/[N+](=O)[O-])OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8843448
LogD (pH = 7.4)
1.8843448
Log P
1.8843448
Molar Refractivity
60.7938
Polarizability
22.647367
Polar Surface Area
64.28
Rotatable Bonds
4
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