Molecule

ID:100481

General Information
Structure
Molecular Formula
C₇H₃BrFNS
Molecular Mass
232.0728232
Exact Mass
230.91536032
Charge
0
InChI
InChI=1S/C7H3BrFNS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H
InChIKey
SSLVXFSUADEZBQ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1Br)F
Isomeric Smiles
Brc1c(ccc(c1)F)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9065251
LogD (pH = 7.4)
3.9065256
Log P
3.9065256
Molar Refractivity
50.9601
Polarizability
18.57309
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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