(E)-4-(1,2-dihydroacenaphthylen-5-ylamino)-4-oxobut-2-enoate
Formula:C16H12NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4-(1,2-dihydroacenaphthylen-5-ylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(1,2-dihydroacenaphthylen-5-ylamino)-4-oxobut-2-enoate |
| MolecularFormula | C16H12NO3 |
| Smiles | [O-]C(/C=C/C(Nc1ccc(CC2)c3c2cccc13)=O)=O |
| InChI | InChI=1S/C16H13NO3/c18-14(8-9-15(19)20)17-13-7-6-11-5-4-10-2-1-3-12(13)16(10)11/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20)/p-1 |
| InChIK | ZGKCNHGCSZDDII-UHFFFAOYSA-M |
| TotalMolweight | 266.275 |
| Molweight | 266.275 |
| MonoisotopicMass | 266.081719 |
| CLogP | 0.3348 |
| CLogS | -3.903 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.87 |
| Relative PSA | 0.25543 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -1.2514 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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