(5E)-5-benzylidene-3-(2-hydroxy-4-nitrophenyl)-2-phenylimidazol-4-one
Formula:C22H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-(2-hydroxy-4-nitrophenyl)-2-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-(2-hydroxy-4-nitrophenyl)-2-phenylimidazol-4-one |
| MolecularFormula | C22H15N3O4 |
| Smiles | [O-][N+](c(cc1)cc(O)c1N(C1=O)C(c2ccccc2)=N/C1=C/c1ccccc1)=O |
| InChI | InChI=1S/C22H15N3O4/c26-20-14-17(25(28)29)11-12-19(20)24-21(16-9-5-2-6-10-16)23-18(22(24)27)13-15-7-3-1-4-8-15/h1-14,26H |
| InChIK | SRSARDJRGZXZMJ-UHFFFAOYSA-N |
| TotalMolweight | 385.378 |
| Molweight | 385.378 |
| MonoisotopicMass | 385.106257 |
| CLogP | 2.8701 |
| CLogS | -5.43 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.03 |
| Relative PSA | 0.25127 |
| PolarSurfaceArea | 98.72 |
| Druglikeness | -2.0474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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