(NE)-N-(1,4-diphenylbutylidene)hydroxylamine
Formula:C16H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1,4-diphenylbutylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(1,4-diphenylbutylidene)hydroxylamine |
| MolecularFormula | C16H17NO |
| Smiles | O/N=C(\CCCc1ccccc1)/c1ccccc1 |
| InChI | InChI=1S/C16H17NO/c18-17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,18H,7,10,13H2 |
| InChIK | MDFHNRQLQFQOTQ-UHFFFAOYSA-N |
| TotalMolweight | 239.317 |
| Molweight | 239.317 |
| MonoisotopicMass | 239.131014 |
| CLogP | 4.5029 |
| CLogS | -4.35 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 203.62 |
| Relative PSA | 0.12086 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -4.0912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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