2-amino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H18N4O4 |
| Smiles | Nc(cccc1)c1C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C21H18N4O4/c22-20-4-2-1-3-19(20)21(26)24-23-13-15-7-11-18(12-8-15)29-14-16-5-9-17(10-6-16)25(27)28/h1-13H,14,22H2,(H,24,26) |
| InChIK | GERSEHCJKKLIBX-UHFFFAOYSA-N |
| TotalMolweight | 390.398 |
| Molweight | 390.398 |
| MonoisotopicMass | 390.132806 |
| CLogP | 2.9508 |
| CLogS | -5.598 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 302.7 |
| Relative PSA | 0.30294 |
| PolarSurfaceArea | 122.53 |
| Druglikeness | -1.144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 2-amino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
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