(NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C18H15N3O3 |
| Smiles | O/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C18H15N3O3/c22-19-11-14-12-21(15-4-2-1-3-5-15)20-18(14)13-6-7-16-17(10-13)24-9-8-23-16/h1-7,10-12,22H,8-9H2 |
| InChIK | RWLCAOXVHPOAFD-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 3.1121 |
| CLogS | -4.01 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.87 |
| Relative PSA | 0.254 |
| PolarSurfaceArea | 68.87 |
| Druglikeness | -4.3657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
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