(E)-4-(3,5-dichloroanilino)-4-oxobut-2-enoate
Formula:C10H6NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(3,5-dichloroanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(3,5-dichloroanilino)-4-oxobut-2-enoate |
| MolecularFormula | C10H6NO3Cl2 |
| Smiles | [O-]C(/C=C/C(Nc1cc(Cl)cc(Cl)c1)=O)=O |
| InChI | InChI=1S/C10H7Cl2NO3/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(15)16/h1-5H,(H,13,14)(H,15,16)/p-1 |
| InChIK | YDCIVHVKWOTWES-UHFFFAOYSA-M |
| TotalMolweight | 259.068 |
| Molweight | 259.068 |
| MonoisotopicMass | 257.972473 |
| CLogP | -0.1204 |
| CLogS | -3.217 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 185.09 |
| Relative PSA | 0.27997 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -0.058469 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-(3,5-dichloroanilino)-4-oxobut-2-enoate | 2 - (E)-4-(3,5-dichloroanilino)-4-oxobut-2-enoate
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