N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4-nitroaniline
Formula:C17H17N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4-nitroaniline |
| MolecularFormula | C17H17N5O5 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C17H17N5O5/c23-21(24)15-4-2-14(3-5-15)19-18-12-13-1-6-16(17(11-13)22(25)26)20-7-9-27-10-8-20/h1-6,11-12,19H,7-10H2 |
| InChIK | OELLKKNPJAFMKR-UHFFFAOYSA-N |
| TotalMolweight | 371.352 |
| Molweight | 371.352 |
| MonoisotopicMass | 371.12297 |
| CLogP | 2.6667 |
| CLogS | -4.172 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 278.42 |
| Relative PSA | 0.34969 |
| PolarSurfaceArea | 128.5 |
| Druglikeness | -1.8712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4-nitroaniline | 2 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4-nitroaniline
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