N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C19H14N4O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H14N4O4 |
| Smiles | [O-][N+](c(cccc1)c1Oc1c(/C=N\NC(c2ccncc2)=O)cccc1)=O |
| InChI | InChI=1S/C19H14N4O4/c24-19(14-9-11-20-12-10-14)22-21-13-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)23(25)26/h1-13H,(H,22,24) |
| InChIK | XWDBVLONBMSSFJ-UHFFFAOYSA-N |
| TotalMolweight | 362.344 |
| Molweight | 362.344 |
| MonoisotopicMass | 362.101506 |
| CLogP | 2.6747 |
| CLogS | -5.683 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 279.18 |
| Relative PSA | 0.31306 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.8595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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