Molecule

ID:41011

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClFN₂S
Molecular Mass
214.6471632
Exact Mass
213.97677504
Charge
0
InChI
InChI=1S/C8H4ClFN2S/c9-8-7(11-12-13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKey
FCNANLLBSCATLF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nnsc1Cl
Isomeric Smiles
c1(c(snn1)Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5078013
LogD (pH = 7.4)
3.5078018
Log P
3.5078018
Molar Refractivity
49.3013
Polarizability
19.881315
Polar Surface Area
25.78
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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