1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
Formula:C18H13N3OCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea is not a drug-like molecule.
| MolName | 1-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea |
| MolecularFormula | C18H13N3OCl2S |
| Smiles | S=C(Nc1ccccc1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C18H13Cl2N3OS/c19-12-6-8-15(16(20)10-12)17-9-7-14(24-17)11-21-23-18(25)22-13-4-2-1-3-5-13/h1-11H,(H2,22,23,25) |
| InChIK | CKYSQOYORVZBCB-UHFFFAOYSA-N |
| TotalMolweight | 390.293 |
| Molweight | 390.293 |
| MonoisotopicMass | 389.015636 |
| CLogP | 5.7431 |
| CLogS | -7.253 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 293.7 |
| Relative PSA | 0.26061 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 4.4904 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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