(NE)-N-[(2E)-2-benzylidene-6-[(hydroxyamino)-phenylmethyl]cyclohexylidene]hydroxylamine
Formula:C20H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2E)-2-benzylidene-6-[(hydroxyamino)-phenylmethyl]cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2E)-2-benzylidene-6-[(hydroxyamino)-phenylmethyl]cyclohexylidene]hydroxylamine |
| MolecularFormula | C20H22N2O2 |
| Smiles | ONC(C(CCC/C1=C\c2ccccc2)/C1=N\O)c1ccccc1 |
| InChI | InChI=1S/C20H22N2O2/c23-21-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)22-24)14-15-8-3-1-4-9-15/h1-6,8-11,14,18-19,21,23-24H,7,12-13H2 |
| InChIK | ZRUMPUDVEPDHPW-UHFFFAOYSA-N |
| TotalMolweight | 322.407 |
| Molweight | 322.407 |
| MonoisotopicMass | 322.168128 |
| CLogP | 3.8389 |
| CLogS | -4.593 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 257.64 |
| Relative PSA | 0.19085 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | -2.3958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - (NE)-N-[(2E)-2-benzylidene-6-[(hydroxyamino)-phenylmethyl]cyclohexylidene]hydroxylamine | 2 - (NE)-N-[(2E)-2-benzylidene-6-[(hydroxyamino)-phenylmethyl]cyclohexylidene]hydroxylamine
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