(4Z)-4-[(3-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
Formula:C16H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(3-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(3-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one |
| MolecularFormula | C16H10N2O3S |
| Smiles | [O-][N+](c1cccc(/C=C2\N=C(c3ccccc3)SC2=O)c1)=O |
| InChI | InChI=1S/C16H10N2O3S/c19-16-14(10-11-5-4-8-13(9-11)18(20)21)17-15(22-16)12-6-2-1-3-7-12/h1-10H |
| InChIK | XCCKRKBHNSJREO-UHFFFAOYSA-N |
| TotalMolweight | 310.332 |
| Molweight | 310.332 |
| MonoisotopicMass | 310.041213 |
| CLogP | 2.8566 |
| CLogS | -4.658 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.11 |
| Relative PSA | 0.32046 |
| PolarSurfaceArea | 100.55 |
| Druglikeness | -3.0735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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