N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
Formula:C15H19N4O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide |
| MolecularFormula | C15H19N4O5F2 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CC[NH+]2CCOCC2)=O)c1OC(F)F)=O |
| InChI | InChI=1S/C15H18F2N4O5/c16-15(17)26-13-2-1-12(21(23)24)9-11(13)10-18-19-14(22)3-4-20-5-7-25-8-6-20/h1-2,9-10,15H,3-8H2,(H,19,22)/p+1 |
| InChIK | OVESNGLTSFGQBX-UHFFFAOYSA-O |
| TotalMolweight | 373.335 |
| Molweight | 373.335 |
| MonoisotopicMass | 373.132352 |
| CLogP | -0.0724 |
| CLogS | -3.093 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 289.5 |
| Relative PSA | 0.35931 |
| PolarSurfaceArea | 110.18 |
| Druglikeness | -5.4813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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