(NZ)-N-[2-(1,3-benzodioxol-5-ylamino)cyclododecylidene]hydroxylamine
Formula:C19H28N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(1,3-benzodioxol-5-ylamino)cyclododecylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[2-(1,3-benzodioxol-5-ylamino)cyclododecylidene]hydroxylamine |
| MolecularFormula | C19H28N2O3 |
| Smiles | O/N=C(/CCCCCCCCCC1)\C1Nc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H28N2O3/c22-21-17-10-8-6-4-2-1-3-5-7-9-16(17)20-15-11-12-18-19(13-15)24-14-23-18/h11-13,16,20,22H,1-10,14H2/b21-17-/t16-/m0/s1 |
| InChIK | YGVLKBVHRMIYEK-SEPJKUCUSA-N |
| TotalMolweight | 332.442 |
| Molweight | 332.442 |
| MonoisotopicMass | 332.209993 |
| CLogP | 5.7732 |
| CLogS | -5.608 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.9 |
| Relative PSA | 0.20698 |
| PolarSurfaceArea | 63.08 |
| Druglikeness | -4.8129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 15 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - (NZ)-N-[2-(1,3-benzodioxol-5-ylamino)cyclododecylidene]hydroxylamine | 2 - (NZ)-N-[2-(1,3-benzodioxol-5-ylamino)cyclododecylidene]hydroxylamine
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