Molecule

ID:124756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃O₂S
Molecular Mass
273.73918
Exact Mass
273.03387532
Charge
0
InChI
InChI=1S/C10H11N3O2S.ClH/c1-15-5-9(14)13-10-12-7-3-2-6(11)4-8(7)16-10;/h2-4H,5,11H2,1H3,(H,12,13,14);1H
InChIKey
LPBZFAUDRCRWAO-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)Nc1nc2c(s1)cc(cc2)N.Cl
Isomeric Smiles
c1(nc2c(s1)cc(N)cc2)NC(=O)COC.Cl
Calculated Properties
JChem
Acid pKa
10.452966
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0314943
LogD (pH = 7.4)
1.0320084
Log P
1.0323846
Molar Refractivity
62.6188
Polarizability
24.188946
Polar Surface Area
77.24
Rotatable Bonds
3
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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