Molecule

ID:36558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S
Molecular Mass
241.69402
Exact Mass
240.99642718
Charge
0
InChI
InChI=1S/C10H8ClNO2S/c1-6-2-3-7(15-6)4-8-9(5-11)12-14-10(8)13/h2-4H,5H2,1H3/b8-4+
InChIKey
QEFMHXQCTYIMNC-XBXARRHUSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(s1)C
Isomeric Smiles
C\1(=C\c2sc(cc2)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7580903
LogD (pH = 7.4)
3.7580926
Log P
3.7580926
Molar Refractivity
59.7142
Polarizability
22.462208
Polar Surface Area
38.66
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