Molecule

ID:62592

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₄O₂S
Molecular Mass
318.82286
Exact Mass
318.09172455
Charge
0
InChI
InChI=1S/C12H19ClN4O2S/c1-9-8-11(13)15-12(14-9)10-4-6-17(7-5-10)20(18,19)16(2)3/h8,10H,4-7H2,1-3H3
InChIKey
RKIJBRCNGVDKHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)nc(n1)C1CCN(CC1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(N1CCC(c2nc(cc(n2)C)Cl)CC1)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.936948
LogD (pH = 7.4)
0.9369949
Log P
0.9369955
Molar Refractivity
79.9709
Polarizability
31.31781
Polar Surface Area
66.4
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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