(NE)-N-[6-bromo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]hydroxylamine
Formula:C18H11N2O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(NE)-N-[6-bromo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[6-bromo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]hydroxylamine |
| MolecularFormula | C18H11N2O2BrS |
| Smiles | O/N=C1/Oc(ccc(Br)c2)c2C=C1c1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C18H11BrN2O2S/c19-13-6-7-16-12(8-13)9-14(17(21-22)23-16)18-20-15(10-24-18)11-4-2-1-3-5-11/h1-10,22H |
| InChIK | RZHOVPIOSCYPRQ-UHFFFAOYSA-N |
| TotalMolweight | 399.267 |
| Molweight | 399.267 |
| MonoisotopicMass | 397.972459 |
| CLogP | 4.6795 |
| CLogS | -5.344 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.64 |
| Relative PSA | 0.25694 |
| PolarSurfaceArea | 82.95 |
| Druglikeness | 0.75575 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (NE)-N-[6-bromo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]hydroxylamine | 2 - (NE)-N-[6-bromo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-ylidene]hydroxylamine
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