(NE)-N-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydroxylamine
Formula:C11H8NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C11H8NO2Cl |
| Smiles | O/N=C/c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)11-6-5-10(15-11)7-13-14/h1-7,14H |
| InChIK | NJFUMSDVJZXMKK-UHFFFAOYSA-N |
| TotalMolweight | 221.643 |
| Molweight | 221.643 |
| MonoisotopicMass | 221.024356 |
| CLogP | 3.7592 |
| CLogS | -4.511 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 169.24 |
| Relative PSA | 0.22879 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | 1.7868 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NE)-N-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydroxylamine | 2 - (NE)-N-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydroxylamine
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