Molecule

ID:86306

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₃N₂O₃
Molecular Mass
347.58116
Exact Mass
345.9678752
Charge
0
InChI
InChI=1S/C13H9Cl3N2O3/c1-8-4-5-9(11(7-8)18(20)21)17-6-2-3-10(17)12(19)13(14,15)16/h2-7H,1H3
InChIKey
HCQBJHWPTCTTBJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)[N+](=O)[O-])n1cccc1C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
n1(c2ccc(cc2[N+](=O)[O-])C)c(ccc1)C(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7258
LogD (pH = 7.4)
3.7258
Log P
3.7258
Molar Refractivity
93.9712
Polarizability
31.347845
Polar Surface Area
67.82
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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