N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C19H15N4O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C19H15N4O3Cl |
| Smiles | O=C(C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C19H15ClN4O3/c20-15-5-1-4-14(9-15)17-7-6-16(27-17)12-23-24-19(26)18(25)22-11-13-3-2-8-21-10-13/h1-10,12H,11H2,(H,22,25)(H,24,26) |
| InChIK | HKTQMXBZZRMSGE-UHFFFAOYSA-N |
| TotalMolweight | 382.806 |
| Molweight | 382.806 |
| MonoisotopicMass | 382.083268 |
| CLogP | 2.3973 |
| CLogS | -4.742 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.59 |
| Relative PSA | 0.29153 |
| PolarSurfaceArea | 96.59 |
| Druglikeness | 5.9683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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