N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-5-nitropyridin-2-amine
Formula:C14H15N5O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C14H15N5O4 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C/c1ccc(N2CCOCC2)o1)=O |
| InChI | InChI=1S/C14H15N5O4/c20-19(21)11-1-3-13(15-9-11)17-16-10-12-2-4-14(23-12)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,15,17) |
| InChIK | TYMPBSWPQZWLGQ-UHFFFAOYSA-N |
| TotalMolweight | 317.304 |
| Molweight | 317.304 |
| MonoisotopicMass | 317.112405 |
| CLogP | 2.4789 |
| CLogS | -3.649 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 243.2 |
| Relative PSA | 0.37837 |
| PolarSurfaceArea | 108.71 |
| Druglikeness | 0.25189 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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