1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Formula:C18H13N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylurea is not a drug-like molecule.
| MolName | 1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H13N3O2Cl2 |
| Smiles | O=C(Nc1ccccc1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C18H13Cl2N3O2/c19-12-6-8-15(16(20)10-12)17-9-7-14(25-17)11-21-23-18(24)22-13-4-2-1-3-5-13/h1-11H,(H2,22,23,24) |
| InChIK | WUDHRCVFPRFRFJ-UHFFFAOYSA-N |
| TotalMolweight | 374.226 |
| Molweight | 374.226 |
| MonoisotopicMass | 373.038481 |
| CLogP | 5.3464 |
| CLogS | -7.169 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.74 |
| Relative PSA | 0.22092 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 5.9775 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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