Molecule

ID:7977

General Information
Structure
Molecular Formula
C₈H₄ClNOS
Molecular Mass
197.64146
Exact Mass
196.97021243
Charge
0
InChI
InChI=1S/C8H4ClNOS/c9-7-3-1-2-6(4-7)8(11)10-5-12/h1-4H
InChIKey
ZUISLKTWVWIULT-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(=O)c1cccc(c1)Cl
Isomeric Smiles
c1ccc(cc1C(=O)N=C=S)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.840698
LogD (pH = 7.4)
2.840698
Log P
2.840698
Molar Refractivity
51.2736
Polarizability
19.80576
Polar Surface Area
29.43
Rotatable Bonds
1
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