Molecule

ID:52070

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃S
Molecular Mass
215.7031
Exact Mass
215.02839602
Charge
0
InChI
InChI=1S/C8H10ClN3S/c1-5-2-3-6(9)4-7(5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKey
MNHFCGWLGJWPMN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=S)NN)Cl
Isomeric Smiles
NNC(=S)Nc1c(ccc(c1)Cl)C
Calculated Properties
JChem
Acid pKa
9.308738
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
2.5818796
LogD (pH = 7.4)
2.5831313
Log P
2.5882707
Molar Refractivity
61.9187
Polarizability
22.925663
Polar Surface Area
50.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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