Molecule

ID:124597

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClN₃OS
Molecular Mass
241.69732
Exact Mass
241.00766057
Charge
0
InChI
InChI=1S/C9H8ClN3OS/c10-4-6-3-7(14)13-9(11-6)15-8(12-13)5-1-2-5/h3,5H,1-2,4H2
InChIKey
RZAODRKXUJHQOO-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)sc(n2)C1CC1
Isomeric Smiles
n12c(sc(n1)C1CC1)nc(cc2=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0614862
LogD (pH = 7.4)
2.0614862
Log P
2.0614862
Molar Refractivity
60.3559
Polarizability
22.561745
Polar Surface Area
45.03
Rotatable Bonds
2
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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