Molecule

ID:89475

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNOS
Molecular Mass
185.63076
Exact Mass
184.97021243
Charge
0
InChI
InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)
InChIKey
HAASPZUBSZGCKU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)oc(=S)[nH]2
Isomeric Smiles
o1c2c(ccc(c2)Cl)[nH]c1=S
Calculated Properties
JChem
Acid pKa
10.779151
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8255386
LogD (pH = 7.4)
2.8253686
Log P
2.8255408
Molar Refractivity
49.0599
Polarizability
18.567106
Polar Surface Area
21.26
Rotatable Bonds
0
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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