Molecule

ID:94496

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFNS
Molecular Mass
187.6218232
Exact Mass
186.965876
Charge
0
InChI
InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
InChIKey
BUVRIIKIGKFOKD-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)Cl)F
Isomeric Smiles
N(=C=S)c1cc(c(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7418163
LogD (pH = 7.4)
3.7418177
Log P
3.7418177
Molar Refractivity
48.1421
Polarizability
17.607662
Polar Surface Area
12.36
Rotatable Bonds
1
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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