2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
Formula:C17H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate is a drug-like molecule.
| MolName | 2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate |
| MolecularFormula | C17H15N3O4 |
| Smiles | NC(N/N=C(/c1c-2cccc1)\c1c2c(C(OCCO)=O)ccc1)=O |
| InChI | InChI=1S/C17H15N3O4/c18-17(23)20-19-15-11-5-2-1-4-10(11)14-12(15)6-3-7-13(14)16(22)24-9-8-21/h1-7,21H,8-9H2,(H3,18,20,23) |
| InChIK | TWTOKUWDPQCFCQ-UHFFFAOYSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | 2.1109 |
| CLogS | -5.524 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 241.84 |
| Relative PSA | 0.36148 |
| PolarSurfaceArea | 114.01 |
| Druglikeness | 2.7463 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate | 2 - 2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
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