N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
Formula:C16H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide |
| MolecularFormula | C16H15N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CC(NCc2cnccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H15N5O4/c22-15(18-10-13-2-1-7-17-9-13)8-16(23)20-19-11-12-3-5-14(6-4-12)21(24)25/h1-7,9,11H,8,10H2,(H,18,22)(H,20,23) |
| InChIK | WWUCNZGNIORXCS-UHFFFAOYSA-N |
| TotalMolweight | 341.326 |
| Molweight | 341.326 |
| MonoisotopicMass | 341.112405 |
| CLogP | 0.3852 |
| CLogS | -3.276 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 266.15 |
| Relative PSA | 0.38287 |
| PolarSurfaceArea | 129.27 |
| Druglikeness | -2.7194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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