(5Z)-5-benzylidene-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one
Formula:C22H15N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(2,6-dichloro-4-nitrophenyl)-2-phenylimidazolidin-4-one |
| MolecularFormula | C22H15N3O3Cl2 |
| Smiles | [O-][N+](c(cc1Cl)cc(Cl)c1N(C(c1ccccc1)N/C1=C\c2ccccc2)C1=O)=O |
| InChI | InChI=1S/C22H15Cl2N3O3/c23-17-12-16(27(29)30)13-18(24)20(17)26-21(15-9-5-2-6-10-15)25-19(22(26)28)11-14-7-3-1-4-8-14/h1-13,21,25H/t21-/m0/s1 |
| InChIK | VYHYZQWGQGUXNE-NRFANRHFSA-N |
| TotalMolweight | 440.285 |
| Molweight | 440.285 |
| MonoisotopicMass | 439.049046 |
| CLogP | 2.1212 |
| CLogS | -6.686 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.51 |
| Relative PSA | 0.1883 |
| PolarSurfaceArea | 78.16 |
| Druglikeness | -1.9336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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