2-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
Formula:C23H17N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C23H17N2O3S |
| Smiles | [O-]C(c1c(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C23H18N2O3S/c26-21(25-24-13-15-7-1-2-8-16(15)23(27)28)14-29-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h1-13,22H,14H2,(H,25,26)(H,27,28)/p-1 |
| InChIK | QPHGTDLTVWJJIW-UHFFFAOYSA-M |
| TotalMolweight | 401.465 |
| Molweight | 401.465 |
| MonoisotopicMass | 401.095988 |
| CLogP | 2.161 |
| CLogS | -7.951 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.28 |
| Relative PSA | 0.26737 |
| PolarSurfaceArea | 106.89 |
| Druglikeness | 5.8258 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
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