(NE)-N-[(5E)-1,5-bis(4-fluorophenyl)-5-hydroxyiminopentylidene]hydroxylamine
Formula:C17H16N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(5E)-1,5-bis(4-fluorophenyl)-5-hydroxyiminopentylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(5E)-1,5-bis(4-fluorophenyl)-5-hydroxyiminopentylidene]hydroxylamine |
| MolecularFormula | C17H16N2O2F2 |
| Smiles | O/N=C(\CCC/C(/c(cc1)ccc1F)=N\O)/c(cc1)ccc1F |
| InChI | InChI=1S/C17H16F2N2O2/c18-14-8-4-12(5-9-14)16(20-22)2-1-3-17(21-23)13-6-10-15(19)11-7-13/h4-11,22-23H,1-3H2 |
| InChIK | LKCRVSJZLQAMSA-UHFFFAOYSA-N |
| TotalMolweight | 318.322 |
| Molweight | 318.322 |
| MonoisotopicMass | 318.117984 |
| CLogP | 4.892 |
| CLogS | -5.804 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 245.64 |
| Relative PSA | 0.20037 |
| PolarSurfaceArea | 65.18 |
| Druglikeness | -5.4312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - (NE)-N-[(5E)-1,5-bis(4-fluorophenyl)-5-hydroxyiminopentylidene]hydroxylamine | 2 - (NE)-N-[(5E)-1,5-bis(4-fluorophenyl)-5-hydroxyiminopentylidene]hydroxylamine
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