(NZ)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
Formula:C22H34N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine |
| MolecularFormula | C22H34N3OCl |
| Smiles | O/N=C(/CCCCCCCCCC1)\C1N(CC1)CCN1c1cccc(Cl)c1 |
| InChI | InChI=1S/C22H34ClN3O/c23-19-10-9-11-20(18-19)25-14-16-26(17-15-25)22-13-8-6-4-2-1-3-5-7-12-21(22)24-27/h9-11,18,22,27H,1-8,12-17H2/b24-21-/t22-/m0/s1 |
| InChIK | SDYGPDVPKDEXFT-JDSGXEOOSA-N |
| TotalMolweight | 391.985 |
| Molweight | 391.985 |
| MonoisotopicMass | 391.239039 |
| CLogP | 6.3992 |
| CLogS | -5.178 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.74 |
| Relative PSA | 0.10011 |
| PolarSurfaceArea | 39.07 |
| Druglikeness | -0.24563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (NZ)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine | 2 - (NZ)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
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