Molecule

ID:35522

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClNO₄
Molecular Mass
251.62264
Exact Mass
250.99853536
Charge
0
InChI
InChI=1S/C11H6ClNO4/c12-10-3-1-7(13(15)16)5-9(10)11-4-2-8(6-14)17-11/h1-6H
InChIKey
DIZCCNXYIFDHAX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c2oc(cc2)C=O)c(cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8572502
LogD (pH = 7.4)
2.8572502
Log P
2.8572502
Molar Refractivity
62.1761
Polarizability
23.85314
Polar Surface Area
76.03
Rotatable Bonds
3
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