Molecule

ID:89402

General Information
Structure
Molecular Formula
C₇H₄ClNO₃S₂
Molecular Mass
249.69456
Exact Mass
248.93211267
Charge
0
InChI
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-4-9-12-5/h1-4H
InChIKey
SSGKBJJYLTYNQD-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)c1ccno1
Isomeric Smiles
s1c(ccc1S(=O)(=O)Cl)c1ccno1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7944642
LogD (pH = 7.4)
1.7944647
Log P
1.7944647
Molar Refractivity
52.7577
Polarizability
22.143238
Polar Surface Area
60.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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