(NZ)-N-[6-bromo-1-[(3-bromopyridin-4-yl)methyl]pyrimidin-4-ylidene]hydroxylamine
Formula:C10H8N4OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[6-bromo-1-[(3-bromopyridin-4-yl)methyl]pyrimidin-4-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[6-bromo-1-[(3-bromopyridin-4-yl)methyl]pyrimidin-4-ylidene]hydroxylamine |
| MolecularFormula | C10H8N4OBr2 |
| Smiles | O/N=C1\N=CN(Cc(ccnc2)c2Br)C(Br)=C1 |
| InChI | InChI=1S/C10H8Br2N4O/c11-8-4-13-2-1-7(8)5-16-6-14-10(15-17)3-9(16)12/h1-4,6,17H,5H2 |
| InChIK | JTHAABIPYWSZLF-UHFFFAOYSA-N |
| TotalMolweight | 360.009 |
| Molweight | 360.009 |
| MonoisotopicMass | 357.906483 |
| CLogP | 1.9901 |
| CLogS | -3.572 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 198.63 |
| Relative PSA | 0.25495 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | -0.97006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[6-bromo-1-[(3-bromopyridin-4-yl)methyl]pyrimidin-4-ylidene]hydroxylamine | 2 - (NZ)-N-[6-bromo-1-[(3-bromopyridin-4-yl)methyl]pyrimidin-4-ylidene]hydroxylamine
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