Molecule

ID:66259

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₃S
Molecular Mass
288.75052
Exact Mass
288.03354097
Charge
0
InChI
InChI=1S/C11H13ClN2O3S/c1-17-10(16)7-2-4-14(5-3-7)11-13-9(12)8(6-15)18-11/h6-7H,2-5H2,1H3
InChIKey
ALFXRLGWNCUESD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)c1nc(c(s1)C=O)Cl
Isomeric Smiles
s1c(nc(c1C=O)Cl)N1CCC(CC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3125005
LogD (pH = 7.4)
2.3125007
Log P
2.3125007
Molar Refractivity
70.5535
Polarizability
26.224653
Polar Surface Area
59.5
Rotatable Bonds
4
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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