Molecule

ID:113807

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFNS
Molecular Mass
187.6218232
Exact Mass
186.965876
Charge
0
InChI
InChI=1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKey
ISIIQFDYFMPPOA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)sc(n2)Cl
Isomeric Smiles
n1c(sc2c1ccc(c2)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1701856
LogD (pH = 7.4)
3.170188
Log P
3.170188
Molar Refractivity
42.371
Polarizability
17.31337
Polar Surface Area
12.89
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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