(NE)-N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
Formula:C16H12NOClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine |
| MolecularFormula | C16H12NOClF2 |
| Smiles | O/N=C(\C(C1)C1c(c(F)ccc1)c1Cl)/c(cc1)ccc1F |
| InChI | InChI=1S/C16H12ClF2NO/c17-13-2-1-3-14(19)15(13)11-8-12(11)16(20-21)9-4-6-10(18)7-5-9/h1-7,11-12,21H,8H2/b20-16- |
| InChIK | JCXMNOYJSMDBBD-SILNSSARSA-N |
| TotalMolweight | 307.726 |
| Molweight | 307.726 |
| MonoisotopicMass | 307.057547 |
| CLogP | 5.0223 |
| CLogS | -5.788 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 215.72 |
| Relative PSA | 0.11408 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -1.7222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NE)-N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine | 2 - (NE)-N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
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