Molecule

ID:86305

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₃N₃O₃
Molecular Mass
320.51606
Exact Mass
318.93182404
Charge
0
InChI
InChI=1S/C10H4Cl3N3O3/c11-7(8(12)13)10-15-14-9(19-10)5-2-1-3-6(4-5)16(17)18/h1-4H
InChIKey
ZVXDZDNYOXVIMI-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(c1nnc(o1)c1cccc(c1)[N+](=O)[O-])Cl)Cl
Isomeric Smiles
o1c(nnc1c1cc(ccc1)[N+](=O)[O-])C(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9420784
LogD (pH = 7.4)
2.9420784
Log P
2.9420784
Molar Refractivity
93.6892
Polarizability
26.921522
Polar Surface Area
84.74
Rotatable Bonds
3
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