(E)-4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobut-2-enoic acid
Formula:C11H12N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobut-2-enoic acid |
| MolecularFormula | C11H12N4O5S |
| Smiles | NC(N)=NS(c(cc1)ccc1NC(/C=C/C(O)=O)=O)(=O)=O |
| InChI | InChI=1S/C11H12N4O5S/c12-11(13)15-21(19,20)8-3-1-7(2-4-8)14-9(16)5-6-10(17)18/h1-6H,(H,14,16)(H,17,18)(H4,12,13,15) |
| InChIK | WZJNPXQDBLSULF-UHFFFAOYSA-N |
| TotalMolweight | 312.305 |
| Molweight | 312.305 |
| MonoisotopicMass | 312.052841 |
| CLogP | -1.3309 |
| CLogS | -2.019 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 221.66 |
| Relative PSA | 0.5471 |
| PolarSurfaceArea | 173.32 |
| Druglikeness | 3.9427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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