(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoate
Formula:C11H9NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoate |
| MolecularFormula | C11H9NO3Cl |
| Smiles | [O-]C(/C=C/C(NCc(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16)/p-1 |
| InChIK | LRJZEZSSKPJDCG-UHFFFAOYSA-M |
| TotalMolweight | 238.649 |
| Molweight | 238.649 |
| MonoisotopicMass | 238.027096 |
| CLogP | -1.017 |
| CLogS | -2.297 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 183.43 |
| Relative PSA | 0.28251 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | 0.45071 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoate | 2 - (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off