(NE)-N-[2-(4-fluorophenyl)-4H-chromen-3-ylidene]hydroxylamine
Formula:C15H12NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[2-(4-fluorophenyl)-4H-chromen-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-(4-fluorophenyl)-4H-chromen-3-ylidene]hydroxylamine |
| MolecularFormula | C15H12NO2F |
| Smiles | O/N=C(\C1)/C(c(cc2)ccc2F)Oc2c1cccc2 |
| InChI | InChI=1S/C15H12FNO2/c16-12-7-5-10(6-8-12)15-13(17-18)9-11-3-1-2-4-14(11)19-15/h1-8,15,18H,9H2/t15-/m1/s1 |
| InChIK | JUJNVHLRLFSSCP-OAHLLOKOSA-N |
| TotalMolweight | 257.263 |
| Molweight | 257.263 |
| MonoisotopicMass | 257.085207 |
| CLogP | 3.7574 |
| CLogS | -3.688 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.45 |
| Relative PSA | 0.18078 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -1.7152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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