Molecule

ID:124257

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃S
Molecular Mass
239.7245
Exact Mass
239.02839602
Charge
0
InChI
InChI=1S/C10H10ClN3S/c1-14(10-9(11)12-15-13-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
HQGSGZSUAILHDU-UHFFFAOYSA-N
Canonic Smiles
CN(c1nsnc1Cl)Cc1ccccc1
Isomeric Smiles
c1(c(nsn1)Cl)N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6068923
LogD (pH = 7.4)
3.6068938
Log P
3.6068938
Molar Refractivity
66.055
Polarizability
23.659603
Polar Surface Area
29.02
Rotatable Bonds
3
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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