N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H13N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H13N3O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3ccccc3)o2)ccc1)=O |
| InChI | InChI=1S/C17H13N3O3/c21-20(22)15-8-4-5-13(11-15)17-10-9-16(23-17)12-18-19-14-6-2-1-3-7-14/h1-12,19H |
| InChIK | DPARSQJHUZLVBA-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 4.8582 |
| CLogS | -5.069 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.36 |
| Relative PSA | 0.27851 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -0.77506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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