N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide
Formula:C22H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide is a drug-like molecule.
| MolName | N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide |
| MolecularFormula | C22H17N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N/c2cc(NC(c3ccccc3)=O)ccc2)cc1)=O |
| InChI | InChI=1S/C22H17N3O3/c26-22(18-7-2-1-3-8-18)24-20-10-4-9-19(16-20)23-15-5-6-17-11-13-21(14-12-17)25(27)28/h1-16H,(H,24,26) |
| InChIK | VSYQQIDTXBATHF-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 3.2776 |
| CLogS | -5.422 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.92 |
| Relative PSA | 0.22373 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.6685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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