N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
Formula:C18H18N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide |
| MolecularFormula | C18H18N4O6 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N/NC(C(NCC3OCCC3)=O)=O)o2)ccc1)=O |
| InChI | InChI=1S/C18H18N4O6/c23-17(19-10-14-5-2-8-27-14)18(24)21-20-11-15-6-7-16(28-15)12-3-1-4-13(9-12)22(25)26/h1,3-4,6-7,9,11,14H,2,5,8,10H2,(H,19,23)(H,21,24)/t14-/m1/s1 |
| InChIK | ZJLFXGLVMRESMV-CQSZACIVSA-N |
| TotalMolweight | 386.363 |
| Molweight | 386.363 |
| MonoisotopicMass | 386.122636 |
| CLogP | 0.7523 |
| CLogS | -4.623 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 293.6 |
| Relative PSA | 0.39183 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -0.60504 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide | 2 - N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
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