[(Z)-[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea
Formula:C16H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C16H16N4O5 |
| Smiles | NC(N/N=C\c1cccc(OCCOc(cc2)ccc2[N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C16H16N4O5/c17-16(21)19-18-11-12-2-1-3-15(10-12)25-9-8-24-14-6-4-13(5-7-14)20(22)23/h1-7,10-11H,8-9H2,(H3,17,19,21) |
| InChIK | DMBMKBJOTVFUFE-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 | 0.72 |
| 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 | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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