(5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-(furan-2-ylmethylidene)-2-phenylimidazolidin-4-one
Formula:C20H13N3O4Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-(furan-2-ylmethylidene)-2-phenylimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-(furan-2-ylmethylidene)-2-phenylimidazolidin-4-one |
| MolecularFormula | C20H13N3O4Cl2 |
| Smiles | [O-][N+](c(cc1Cl)cc(Cl)c1N(C(c1ccccc1)N/C1=C\c2ccco2)C1=O)=O |
| InChI | InChI=1S/C20H13Cl2N3O4/c21-15-9-13(25(27)28)10-16(22)18(15)24-19(12-5-2-1-3-6-12)23-17(20(24)26)11-14-7-4-8-29-14/h1-11,19,23H/t19-/m0/s1 |
| InChIK | KRHWHNGLPWKCGY-IBGZPJMESA-N |
| TotalMolweight | 430.246 |
| Molweight | 430.246 |
| MonoisotopicMass | 429.028311 |
| CLogP | 1.3099 |
| CLogS | -6.368 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.2 |
| Relative PSA | 0.24177 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | -2.1567 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-(furan-2-ylmethylidene)-2-phenylimidazolidin-4-one | 2 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-5-(furan-2-ylmethylidene)-2-phenylimidazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off