Molecule

ID:73372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrNS
Molecular Mass
256.1621
Exact Mass
254.97173233
Charge
0
InChI
InChI=1S/C10H10BrNS/c1-7(2)8-3-4-10(12-6-13)9(11)5-8/h3-5,7H,1-2H3
InChIKey
HEMKZBSGCAZNJG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1Br)C(C)C
Isomeric Smiles
Brc1c(ccc(c1)C(C)C)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.008832
LogD (pH = 7.4)
5.008833
Log P
5.008833
Molar Refractivity
64.9345
Polarizability
24.17009
Polar Surface Area
12.36
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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