(5Z)-5-[(2-nitrophenyl)methylidene]-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenylimidazol-4-one
Formula:C35H22N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(2-nitrophenyl)methylidene]-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(2-nitrophenyl)methylidene]-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenylimidazol-4-one |
| MolecularFormula | C35H22N4O4S |
| Smiles | [O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c(cc2)ccc2C(N2c(cccc3)c3Sc3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C35H22N4O4S/c40-34(38-29-14-6-8-16-31(29)44-32-17-9-7-15-30(32)38)24-18-20-26(21-19-24)37-33(23-10-2-1-3-11-23)36-27(35(37)41)22-25-12-4-5-13-28(25)39(42)43/h1-22H |
| InChIK | GOVXGBLLTVMHRJ-UHFFFAOYSA-N |
| TotalMolweight | 594.65 |
| Molweight | 594.65 |
| MonoisotopicMass | 594.136176 |
| CLogP | 6.9034 |
| CLogS | -9.934 |
| H Acceptors | 8 |
| TotalSurfaceArea | 430.24 |
| Relative PSA | 0.21523 |
| PolarSurfaceArea | 124.1 |
| Druglikeness | -1.7241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40909 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-nitrophenyl)methylidene]-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenylimidazol-4-one | 2 - (5Z)-5-[(2-nitrophenyl)methylidene]-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenylimidazol-4-one
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