(Z)-3-(4-nitroanilino)-1-phenylprop-2-en-1-one
Formula:C15H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-nitroanilino)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(4-nitroanilino)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H12N2O3 |
| Smiles | [O-][N+](c(cc1)ccc1N/C=C\C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C15H12N2O3/c18-15(12-4-2-1-3-5-12)10-11-16-13-6-8-14(9-7-13)17(19)20/h1-11,16H |
| InChIK | YLVNYJXXPXCCHE-UHFFFAOYSA-N |
| TotalMolweight | 268.271 |
| Molweight | 268.271 |
| MonoisotopicMass | 268.084793 |
| CLogP | 1.5529 |
| CLogS | -4.246 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.4 |
| Relative PSA | 0.25857 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.5825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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