Molecule
ID:8730
General Information
Molecular Formula
C₇H₃Br₂NS
Molecular Mass
292.97842
Exact Mass
290.8352941
Charge
0
InChI
InChI=1S/C7H3Br2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey
JYMRVQQSUHKIST-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1N=C=S)Br
Isomeric Smiles
c1(cc(c(cc1)Br)N=C=S)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.532576
LogD (pH = 7.4)
4.532576
Log P
4.532576
Molar Refractivity
58.3665
Polarizability
21.772766
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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