3-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
Formula:C14H11N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C14H11N3O5 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(c2cc(O)ccc2)=O)o1)=O |
| InChI | InChI=1S/C14H11N3O5/c18-11-4-1-3-10(9-11)14(19)16-15-8-2-5-12-6-7-13(22-12)17(20)21/h1-9,18H,(H,16,19) |
| InChIK | XXWVLFPBFHBWQI-UHFFFAOYSA-N |
| TotalMolweight | 301.257 |
| Molweight | 301.257 |
| MonoisotopicMass | 301.069872 |
| CLogP | 1.4927 |
| CLogS | -4.384 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 233.2 |
| Relative PSA | 0.40154 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.1143 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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