(E)-4-(3-benzamidoanilino)-4-oxobut-2-enoate
Formula:C17H13N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(3-benzamidoanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(3-benzamidoanilino)-4-oxobut-2-enoate |
| MolecularFormula | C17H13N2O4 |
| Smiles | [O-]C(/C=C/C(Nc1cccc(NC(c2ccccc2)=O)c1)=O)=O |
| InChI | InChI=1S/C17H14N2O4/c20-15(9-10-16(21)22)18-13-7-4-8-14(11-13)19-17(23)12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,19,23)(H,21,22)/p-1 |
| InChIK | OASSLTKLNUAPCY-UHFFFAOYSA-M |
| TotalMolweight | 309.3 |
| Molweight | 309.3 |
| MonoisotopicMass | 309.087533 |
| CLogP | -0.1849 |
| CLogS | -3.257 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.22 |
| Relative PSA | 0.31379 |
| PolarSurfaceArea | 98.33 |
| Druglikeness | -0.13705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-(3-benzamidoanilino)-4-oxobut-2-enoate | 2 - (E)-4-(3-benzamidoanilino)-4-oxobut-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off