(E)-4-(benzylamino)-4-oxobut-2-enoate
Formula:C11H10NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(benzylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(benzylamino)-4-oxobut-2-enoate |
| MolecularFormula | C11H10NO3 |
| Smiles | [O-]C(/C=C/C(NCc1ccccc1)=O)=O |
| InChI | InChI=1S/C11H11NO3/c13-10(6-7-11(14)15)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/p-1 |
| InChIK | BHWGQIYJCMMSNM-UHFFFAOYSA-M |
| TotalMolweight | 204.204 |
| Molweight | 204.204 |
| MonoisotopicMass | 204.066069 |
| CLogP | -1.623 |
| CLogS | -1.561 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 168.01 |
| Relative PSA | 0.30843 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | 0.37632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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