1-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Formula:C18H13N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H13N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N\NC(Nc2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C18H13ClN4O4/c19-16-10-13(23(25)26)6-8-15(16)17-9-7-14(27-17)11-20-22-18(24)21-12-4-2-1-3-5-12/h1-11H,(H2,21,22,24) |
| InChIK | SCJNOEXFJKHDLX-UHFFFAOYSA-N |
| TotalMolweight | 384.778 |
| Molweight | 384.778 |
| MonoisotopicMass | 384.062533 |
| CLogP | 3.8188 |
| CLogS | -6.893 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 286.99 |
| Relative PSA | 0.32057 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 0.91094 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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