N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide
Formula:C22H17N3O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide |
| MolecularFormula | C22H17N3O5F2 |
| Smiles | [O-][N+](c(cc1)ccc1OCc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(F)F)=O)=O |
| InChI | InChI=1S/C22H17F2N3O5/c23-22(24)32-20-9-3-15(4-10-20)13-25-26-21(28)17-5-1-16(2-6-17)14-31-19-11-7-18(8-12-19)27(29)30/h1-13,22H,14H2,(H,26,28) |
| InChIK | WZHKZLPIOFEQFB-UHFFFAOYSA-N |
| TotalMolweight | 441.389 |
| Molweight | 441.389 |
| MonoisotopicMass | 441.113628 |
| CLogP | 3.7975 |
| CLogS | -6.144 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 329.38 |
| Relative PSA | 0.2624 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -3.8949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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