Molecule

ID:100338

General Information
Structure
MolImage
Molecular Formula
C₇H₂Br₂FNS
Molecular Mass
310.9688832
Exact Mass
308.82587229
Charge
0
InChI
InChI=1S/C7H2Br2FNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey
VDTMHXBNLSMARZ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(F)cc(cc1Br)Br
Isomeric Smiles
Brc1c(c(cc(c1)Br)F)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.675278
LogD (pH = 7.4)
4.675278
Log P
4.675278
Molar Refractivity
58.5829
Polarizability
21.670805
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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