(NE)-N-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitrochromen-2-ylidene]hydroxylamine
Formula:C18H10N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(NE)-N-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitrochromen-2-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitrochromen-2-ylidene]hydroxylamine |
| MolecularFormula | C18H10N3O4ClS |
| Smiles | [O-][N+](c(cc1)cc(C=C2c3nc(-c(cc4)ccc4Cl)cs3)c1O/C2=N/O)=O |
| InChI | InChI=1S/C18H10ClN3O4S/c19-12-3-1-10(2-4-12)15-9-27-18(20-15)14-8-11-7-13(22(24)25)5-6-16(11)26-17(14)21-23/h1-9,23H |
| InChIK | JIQVWYAGHCTGJT-UHFFFAOYSA-N |
| TotalMolweight | 399.813 |
| Molweight | 399.813 |
| MonoisotopicMass | 399.008054 |
| CLogP | 3.6387 |
| CLogS | -5.706 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.1 |
| Relative PSA | 0.34774 |
| PolarSurfaceArea | 128.77 |
| Druglikeness | -2.4398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NE)-N-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitrochromen-2-ylidene]hydroxylamine | 2 - (NE)-N-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitrochromen-2-ylidene]hydroxylamine
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