1-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Formula:C14H10N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | 1-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione |
| MolecularFormula | C14H10N3O3Cl |
| Smiles | O=C(CN1/N=C\c2ccc(-c3cccc(Cl)c3)o2)NC1=O |
| InChI | InChI=1S/C14H10ClN3O3/c15-10-3-1-2-9(6-10)12-5-4-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8H2,(H,17,19,20) |
| InChIK | MXXQCJFVPFCWMR-UHFFFAOYSA-N |
| TotalMolweight | 303.704 |
| Molweight | 303.704 |
| MonoisotopicMass | 303.041069 |
| CLogP | 2.3402 |
| CLogS | -4.549 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 220.41 |
| Relative PSA | 0.30266 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 8.0499 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione | 2 - 1-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
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