Molecule

ID:91630

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₅
Molecular Mass
211.17146
Exact Mass
211.04807239
Charge
0
InChI
InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3
InChIKey
UAPJKEJWOPOJJY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Isomeric Smiles
O=C(c1c(ccc(c1)OC)[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7590357
LogD (pH = 7.4)
1.7590357
Log P
1.7590357
Molar Refractivity
51.8712
Polarizability
19.264702
Polar Surface Area
81.35
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