N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-nitrobenzamide
Formula:C22H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-nitrobenzamide |
| MolecularFormula | C22H17N3O3 |
| Smiles | [O-][N+](c1cc(C(N/N=C(\C=C\c2ccccc2)/c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C22H17N3O3/c26-22(19-12-7-13-20(16-19)25(27)28)24-23-21(18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-16H,(H,24,26) |
| InChIK | WKQVSHCJYVDSJQ-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 3.9909 |
| CLogS | -6.081 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.13 |
| Relative PSA | 0.22509 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.7635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.53571 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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