[(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]urea
Formula:C15H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C15H11N5O4 |
| Smiles | NC(N/N=C\c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1C#N)=O |
| InChI | InChI=1S/C15H11N5O4/c16-8-11-7-12(20(22)23)3-6-14(11)24-13-4-1-10(2-5-13)9-18-19-15(17)21/h1-7,9H,(H3,17,19,21) |
| InChIK | FHBGLEAYILXOHX-UHFFFAOYSA-N |
| TotalMolweight | 325.283 |
| Molweight | 325.283 |
| MonoisotopicMass | 325.081105 |
| CLogP | 1.4449 |
| CLogS | -6.344 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 250.89 |
| Relative PSA | 0.41955 |
| PolarSurfaceArea | 146.32 |
| Druglikeness | -5.2682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]urea | 2 - [(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]urea
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