(NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine
Formula:C17H12NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine |
| MolecularFormula | C17H12NO4Cl |
| Smiles | O/N=C1/c(cc(cc2)Cl)c2OC(c(cc2)cc3c2OCCO3)=C1 |
| InChI | InChI=1S/C17H12ClNO4/c18-11-2-4-14-12(8-11)13(19-20)9-16(23-14)10-1-3-15-17(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2 |
| InChIK | XDPIRDJCRJBJRK-UHFFFAOYSA-N |
| TotalMolweight | 329.738 |
| Molweight | 329.738 |
| MonoisotopicMass | 329.045486 |
| CLogP | 4.579 |
| CLogS | -5.037 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.99 |
| Relative PSA | 0.23439 |
| PolarSurfaceArea | 60.28 |
| Druglikeness | -7.498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine | 2 - (NE)-N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine
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