Molecule

ID:51948

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClN₂O₂S
Molecular Mass
214.62892
Exact Mass
213.96037603
Charge
0
InChI
InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(10(11)12)3-7(6)9-4-13/h1-3H
InChIKey
QSSZYQDXSYYXKK-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
c1(c(ccc(c1)[N+](=O)[O-])Cl)N=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5390997
LogD (pH = 7.4)
3.5391
Log P
3.5391
Molar Refractivity
55.2504
Polarizability
19.8415
Polar Surface Area
58.18
Rotatable Bonds
2
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