Molecule

ID:74682

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrOS₂
Molecular Mass
275.18528
Exact Mass
273.91216884
Charge
0
InChI
InChI=1S/C9H7BrOS2/c1-4-6(3-11)12-9-7(4)5(2)8(10)13-9/h3H,1-2H3
InChIKey
IYHYLNUZVOCFTO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1C)c(c(s2)Br)C
Isomeric Smiles
s1c2c(c(c(s2)Br)C)c(c1C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.791549
LogD (pH = 7.4)
4.791549
Log P
4.791549
Molar Refractivity
58.6616
Polarizability
22.875906
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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