1-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
Formula:C19H14N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea |
| MolecularFormula | C19H14N4OS |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(Nc2ccccc2)=S)o1 |
| InChI | InChI=1S/C19H14N4OS/c20-12-14-6-8-15(9-7-14)18-11-10-17(24-18)13-21-23-19(25)22-16-4-2-1-3-5-16/h1-11,13H,(H2,22,23,25) |
| InChIK | NKWZMBVTCMKNOH-UHFFFAOYSA-N |
| TotalMolweight | 346.413 |
| Molweight | 346.413 |
| MonoisotopicMass | 346.088831 |
| CLogP | 4.3667 |
| CLogS | -6.554 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.57 |
| Relative PSA | 0.31662 |
| PolarSurfaceArea | 105.44 |
| Druglikeness | 0.16849 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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