4-amino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
Formula:C16H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H14N4O3 |
| Smiles | Nc(cc1)ccc1C(N/N=C\C=C\c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C16H14N4O3/c17-14-9-7-13(8-10-14)16(21)19-18-11-3-5-12-4-1-2-6-15(12)20(22)23/h1-11H,17H2,(H,19,21) |
| InChIK | GQHCCUZFABCJMC-UHFFFAOYSA-N |
| TotalMolweight | 310.312 |
| Molweight | 310.312 |
| MonoisotopicMass | 310.106591 |
| CLogP | 1.621 |
| CLogS | -4.549 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 245.68 |
| Relative PSA | 0.33255 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.75966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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