2-(naphthalen-1-ylamino)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C23H19N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(naphthalen-1-ylamino)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(naphthalen-1-ylamino)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H19N5O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(CNc2cccc3ccccc23)=O)ccc1)=O |
| InChI | InChI=1S/C23H19N5O3/c29-23(16-24-22-9-3-6-17-5-1-2-8-21(17)22)26-25-15-20-7-4-14-27(20)18-10-12-19(13-11-18)28(30)31/h1-15,24H,16H2,(H,26,29) |
| InChIK | FVFZCHHMDRDFPK-UHFFFAOYSA-N |
| TotalMolweight | 413.436 |
| Molweight | 413.436 |
| MonoisotopicMass | 413.14879 |
| CLogP | 3.0052 |
| CLogS | -7.946 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 319.44 |
| Relative PSA | 0.26534 |
| PolarSurfaceArea | 104.24 |
| Druglikeness | 0.93167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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