Molecule

ID:82896

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂S
Molecular Mass
234.70468
Exact Mass
234.00184691
Charge
0
InChI
InChI=1S/C11H7ClN2S/c1-7-2-4-8(5-3-7)10-9(6-13)11(12)14-15-10/h2-5H,1H3
InChIKey
BUKXYCDRPWTESJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nsc1c1ccc(cc1)C
Isomeric Smiles
s1c(c(c(n1)Cl)C#N)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7805297
LogD (pH = 7.4)
3.7805302
Log P
3.7805302
Molar Refractivity
63.5482
Polarizability
24.629225
Polar Surface Area
36.68
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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