(NZ)-N-[(5S)-6-(hydroxyamino)-3-methylidene-1-oxa-2-azaspiro[4.5]dec-6-en-10-ylidene]hydroxylamine
Formula:C9H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(5S)-6-(hydroxyamino)-3-methylidene-1-oxa-2-azaspiro[4.5]dec-6-en-10-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(5S)-6-(hydroxyamino)-3-methylidene-1-oxa-2-azaspiro[4.5]dec-6-en-10-ylidene]hydroxylamine |
| MolecularFormula | C9H13N3O3 |
| Smiles | C=C(C1)NO[C@@]11C(NO)=CCC/C1=N/O |
| InChI | InChI=1S/C9H13N3O3/c1-6-5-9(15-12-6)7(10-13)3-2-4-8(9)11-14/h3,10,12-14H,1-2,4-5H2/t9-/m0/s1 |
| InChIK | WWRNXYNTDNFCBN-VIFPVBQESA-N |
| TotalMolweight | 211.22 |
| Molweight | 211.22 |
| MonoisotopicMass | 211.095692 |
| CLogP | 0.1915 |
| CLogS | -2.907 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 154.24 |
| Relative PSA | 0.45792 |
| PolarSurfaceArea | 86.11 |
| Druglikeness | -3.6461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 9 |
| StereoCon | this enantiomer |
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1 - (NZ)-N-[(5S)-6-(hydroxyamino)-3-methylidene-1-oxa-2-azaspiro[4.5]dec-6-en-10-ylidene]hydroxylamine | 2 - (NZ)-N-[(5S)-6-(hydroxyamino)-3-methylidene-1-oxa-2-azaspiro[4.5]dec-6-en-10-ylidene]hydroxylamine
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