[(Z)-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea
Formula:C16H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C16H16N4O5 |
| Smiles | NC(N/N=C\c(cc1)ccc1OCCOc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C16H16N4O5/c17-16(21)19-18-11-12-1-5-14(6-2-12)24-9-10-25-15-7-3-13(4-8-15)20(22)23/h1-8,11H,9-10H2,(H3,17,19,21) |
| InChIK | AGQFZYNQCFHMEQ-UHFFFAOYSA-N |
| TotalMolweight | 344.326 |
| Molweight | 344.326 |
| MonoisotopicMass | 344.112071 |
| CLogP | 1.5687 |
| CLogS | -4.542 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 266.7 |
| Relative PSA | 0.38133 |
| PolarSurfaceArea | 131.76 |
| Druglikeness | -8.1072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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