[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H22N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H22N2O3S |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C29H22N2O3S/c32-27(19-35-28-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28)31-30-18-20-14-16-22(17-15-20)34-29(33)21-8-2-1-3-9-21/h1-18,28H,19H2,(H,31,32) |
| InChIK | CDFISHZJMCYBDV-UHFFFAOYSA-N |
| TotalMolweight | 478.571 |
| Molweight | 478.571 |
| MonoisotopicMass | 478.135113 |
| CLogP | 6.1824 |
| CLogS | -9.408 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 364.51 |
| Relative PSA | 0.20998 |
| PolarSurfaceArea | 93.06 |
| Druglikeness | 5.4846 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| StereoCon |
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