(2E)-2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
Formula:C17H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide |
| MolecularFormula | C17H12N4O5 |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N/NC(c1cccc([N+]([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C17H12N4O5/c18-15(22)13-9-10-4-1-2-7-14(10)26-17(13)20-19-16(23)11-5-3-6-12(8-11)21(24)25/h1-9H,(H2,18,22)(H,19,23) |
| InChIK | HLIFKACIPGFOAF-UHFFFAOYSA-N |
| TotalMolweight | 352.305 |
| Molweight | 352.305 |
| MonoisotopicMass | 352.080771 |
| CLogP | 0.9506 |
| CLogS | -4.286 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 256.35 |
| Relative PSA | 0.40858 |
| PolarSurfaceArea | 139.6 |
| Druglikeness | -0.33199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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