N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
Formula:C22H18N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H18N4O5 |
| Smiles | [O-][N+](c(cc1)ccc1NC(COc1ccc(/C=N\NC(c2ccccc2)=O)cc1)=O)=O |
| InChI | InChI=1S/C22H18N4O5/c27-21(24-18-8-10-19(11-9-18)26(29)30)15-31-20-12-6-16(7-13-20)14-23-25-22(28)17-4-2-1-3-5-17/h1-14H,15H2,(H,24,27)(H,25,28) |
| InChIK | BUHIIVNDQZOLBH-UHFFFAOYSA-N |
| TotalMolweight | 418.408 |
| Molweight | 418.408 |
| MonoisotopicMass | 418.127721 |
| CLogP | 3.0024 |
| CLogS | -5.473 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 323.39 |
| Relative PSA | 0.3121 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -0.43976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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