1-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Formula:C18H14N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H14N4O4 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(Nc2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C18H14N4O4/c23-18(20-13-6-2-1-3-7-13)21-19-12-14-10-11-17(26-14)15-8-4-5-9-16(15)22(24)25/h1-12H,(H2,20,21,23) |
| InChIK | KQXVNNSXFKCPRE-UHFFFAOYSA-N |
| TotalMolweight | 350.333 |
| Molweight | 350.333 |
| MonoisotopicMass | 350.101506 |
| CLogP | 3.2128 |
| CLogS | -6.157 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 271.57 |
| Relative PSA | 0.33877 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 0.87064 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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