Molecule

ID:86689

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNS
Molecular Mass
254.14622
Exact Mass
252.95608226
Charge
0
InChI
InChI=1S/C10H8BrNS/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
XNYKJKJMPCGEQI-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(sc1Br)c1ccccc1
Isomeric Smiles
s1c(c(C)nc1c1ccccc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7228913
LogD (pH = 7.4)
3.722927
Log P
3.7229276
Molar Refractivity
67.7422
Polarizability
22.923878
Polar Surface Area
12.89
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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