N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C23H17N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C23H17N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(CNc3cccc4ccccc34)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C23H17ClN4O4/c24-20-10-8-16(28(30)31)12-19(20)22-11-9-17(32-22)13-26-27-23(29)14-25-21-7-3-5-15-4-1-2-6-18(15)21/h1-13,25H,14H2,(H,27,29) |
| InChIK | IGZFUTNZSKMWSJ-UHFFFAOYSA-N |
| TotalMolweight | 448.865 |
| Molweight | 448.865 |
| MonoisotopicMass | 448.093833 |
| CLogP | 4.3112 |
| CLogS | -7.805 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 335.35 |
| Relative PSA | 0.27434 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 1.9894 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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