N-[(Z)-[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C24H17N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(3-nitrophenyl)methyl]indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C24H17N4O3F3 |
| Smiles | [O-][N+](c1cccc(Cn2c(cccc3)c3c(/C=N\NC(c3cccc(C(F)(F)F)c3)=O)c2)c1)=O |
| InChI | InChI=1S/C24H17F3N4O3/c25-24(26,27)19-7-4-6-17(12-19)23(32)29-28-13-18-15-30(22-10-2-1-9-21(18)22)14-16-5-3-8-20(11-16)31(33)34/h1-13,15H,14H2,(H,29,32) |
| InChIK | PUBKWPYUMGOIRD-UHFFFAOYSA-N |
| TotalMolweight | 466.418 |
| Molweight | 466.418 |
| MonoisotopicMass | 466.125275 |
| CLogP | 4.658 |
| CLogS | -5.937 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 337.44 |
| Relative PSA | 0.21722 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -6.1947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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