2-[4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]sulfonylguanidine
Formula:C14H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]sulfonylguanidine is a drug-like molecule.
| MolName | 2-[4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]sulfonylguanidine |
| MolecularFormula | C14H14N4O3S2 |
| Smiles | NC(N)=NS(c(cc1)ccc1N/C=C\C(c1cccs1)=O)(=O)=O |
| InChI | InChI=1S/C14H14N4O3S2/c15-14(16)18-23(20,21)11-5-3-10(4-6-11)17-8-7-12(19)13-2-1-9-22-13/h1-9,17H,(H4,15,16,18) |
| InChIK | HAAFTOGAGIKAOF-UHFFFAOYSA-N |
| TotalMolweight | 350.422 |
| Molweight | 350.422 |
| MonoisotopicMass | 350.050731 |
| CLogP | 0.5647 |
| CLogS | -4.07 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 253.26 |
| Relative PSA | 0.45601 |
| PolarSurfaceArea | 164.26 |
| Druglikeness | 4.88 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]sulfonylguanidine | 2 - 2-[4-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]sulfonylguanidine
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