(NE)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
Formula:C11H7NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C11H7NO2Cl2 |
| Smiles | O/N=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C11H7Cl2NO2/c12-9-3-1-7(5-10(9)13)11-4-2-8(16-11)6-14-15/h1-6,15H |
| InChIK | DNKJISDWVCAADD-UHFFFAOYSA-N |
| TotalMolweight | 256.088 |
| Molweight | 256.088 |
| MonoisotopicMass | 254.985383 |
| CLogP | 4.3652 |
| CLogS | -5.247 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 184.66 |
| Relative PSA | 0.20968 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | 1.7868 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (NE)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine | 2 - (NE)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
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