(NZ)-N-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
Formula:C14H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C14H12N2O4 |
| Smiles | [O-][N+](c1cc(COc2ccc(/C=N\O)cc2)ccc1)=O |
| InChI | InChI=1S/C14H12N2O4/c17-15-9-11-4-6-14(7-5-11)20-10-12-2-1-3-13(8-12)16(18)19/h1-9,17H,10H2 |
| InChIK | QOFWWXSPJMYEGC-UHFFFAOYSA-N |
| TotalMolweight | 272.259 |
| Molweight | 272.259 |
| MonoisotopicMass | 272.079708 |
| CLogP | 2.6408 |
| CLogS | -4.116 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 211.56 |
| Relative PSA | 0.30738 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -6.3716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
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