7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one
Molecular Formula : C18H19N2O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one is a drug-like molecule.
MolName : 7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one |
MolecularFormula : C18H19N2O5S2 |
Smiles : Oc(cc1)cc(O2)c1C(C[NH+](CC1)CCN1S(c1cccs1)(=O)=O)=CC2=O |
InChI : InChI=1S/C18H18N2O5S2/c21-14-3-4-15-13(10-17(22)25-16(15)11-14)12-19-5-7-20(8-6-19)27(23,24)18-2-1-9-26-18/h1-4,9-11,21H,5-8,12H2/p+1 |
InChIK : SVDPHFVJEWLSTJ-UHFFFAOYSA-O |
TotalMolweight : 407.49 |
Molweight : 407.49 |
MonoisotopicMass : 407.073538 |
CLogP : -0.6498 |
CLogS : -1.36 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 292.79 |
Relative PSA : 0.36279 |
PolarSurfaceArea : 124.97 |
Druglikeness : -3.2463 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.55556 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 9 |
Symmetricatoms : 3 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |