(NZ)-N-[2-(1-nitronaphthalen-2-yl)ethylidene]hydroxylamine
Formula:C12H10N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(NZ)-N-[2-(1-nitronaphthalen-2-yl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(1-nitronaphthalen-2-yl)ethylidene]hydroxylamine |
| MolecularFormula | C12H10N2O3 |
| Smiles | [O-][N+](c1c(C/C=N\O)ccc2ccccc12)=O |
| InChI | InChI=1S/C12H10N2O3/c15-13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14(16)17/h1-6,8,15H,7H2 |
| InChIK | OOASFHRXAIWSGT-UHFFFAOYSA-N |
| TotalMolweight | 230.222 |
| Molweight | 230.222 |
| MonoisotopicMass | 230.069143 |
| CLogP | 2.1743 |
| CLogS | -4.268 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 176.4 |
| Relative PSA | 0.31196 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -6.2997 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[2-(1-nitronaphthalen-2-yl)ethylidene]hydroxylamine | 2 - (NZ)-N-[2-(1-nitronaphthalen-2-yl)ethylidene]hydroxylamine
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