2-(naphthalen-2-ylamino)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Formula:C17H14N4O3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-(naphthalen-2-ylamino)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(naphthalen-2-ylamino)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H14N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNc2cc3ccccc3cc2)=O)s1)=O |
| InChI | InChI=1S/C17H14N4O3S/c22-16(20-19-10-15-7-8-17(25-15)21(23)24)11-18-14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,20,22) |
| InChIK | HMLNMWXJCOZMFO-UHFFFAOYSA-N |
| TotalMolweight | 354.389 |
| Molweight | 354.389 |
| MonoisotopicMass | 354.078661 |
| CLogP | 2.8225 |
| CLogS | -5.769 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 266.42 |
| Relative PSA | 0.36878 |
| PolarSurfaceArea | 127.55 |
| Druglikeness | 1.0572 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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