N-[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino]-2-(1H-indol-3-yl)acetamide
Formula:C15H13N5O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C15H13N5O4 |
| Smiles | N/C(/c1ccc([N+]([O-])=O)o1)=N/NC(Cc1c[nH]c2c1cccc2)=O |
| InChI | InChI=1S/C15H13N5O4/c16-15(12-5-6-14(24-12)20(22)23)19-18-13(21)7-9-8-17-11-4-2-1-3-10(9)11/h1-6,8,17H,7H2,(H2,16,19)(H,18,21) |
| InChIK | OLSGCERGROETMC-UHFFFAOYSA-N |
| TotalMolweight | 327.299 |
| Molweight | 327.299 |
| MonoisotopicMass | 327.096755 |
| CLogP | 1.0116 |
| CLogS | -4.643 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 245.01 |
| Relative PSA | 0.44814 |
| PolarSurfaceArea | 142.23 |
| Druglikeness | 0.62203 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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