Molecule

ID:40400

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClNO₄
Molecular Mass
277.65992
Exact Mass
277.01418542
Charge
0
InChI
InChI=1S/C13H8ClNO4/c14-10-2-4-11(5-3-10)19-13-6-1-9(8-16)7-12(13)15(17)18/h1-8H
InChIKey
OZAXEINOFCSUHN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1[N+](=O)[O-])Oc1ccc(cc1)Cl)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7300642
LogD (pH = 7.4)
3.7300642
Log P
3.7300642
Molar Refractivity
71.0123
Polarizability
26.342133
Polar Surface Area
72.12
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