2-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Formula:C25H17N5O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]sulfanyl-3-phenylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]sulfanyl-3-phenylquinazolin-4-one |
| MolecularFormula | C25H17N5O4S |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(o1)ccc1SC(N1c2ccccc2)=Nc(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C25H17N5O4S/c31-24-21-8-4-5-9-22(21)27-25(29(24)18-6-2-1-3-7-18)35-23-15-14-20(34-23)16-26-28-17-10-12-19(13-11-17)30(32)33/h1-16,28H |
| InChIK | JITZWFUCMVQDRL-UHFFFAOYSA-N |
| TotalMolweight | 483.507 |
| Molweight | 483.507 |
| MonoisotopicMass | 483.100125 |
| CLogP | 5.9861 |
| CLogS | -7.101 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 357.13 |
| Relative PSA | 0.31666 |
| PolarSurfaceArea | 141.32 |
| Druglikeness | 1.0255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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