Molecule

ID:67571

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₂S
Molecular Mass
283.734
Exact Mass
283.01822526
Charge
0
InChI
InChI=1S/C11H10ClN3O2S/c12-11-13-8-5-7(6-16)18-9(8)10(14-11)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKey
PFAKZIZFIXKDFP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1)nc(nc2N1CCOCC1)Cl
Isomeric Smiles
c1(nc2c(c(n1)N1CCOCC1)sc(c2)C=O)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.5490997
LogD (pH = 7.4)
2.5491035
Log P
2.5491037
Molar Refractivity
71.3737
Polarizability
27.169575
Polar Surface Area
55.32
Rotatable Bonds
2
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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