N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
Formula:C23H17N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C23H17N4O3F |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cn(Cc(cccc2)c2F)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C23H17FN4O3/c24-21-7-3-1-5-17(21)14-27-15-18(20-6-2-4-8-22(20)27)13-25-26-23(29)16-9-11-19(12-10-16)28(30)31/h1-13,15H,14H2,(H,26,29) |
| InChIK | FRQJHYFRYQUJAT-UHFFFAOYSA-N |
| TotalMolweight | 416.411 |
| Molweight | 416.411 |
| MonoisotopicMass | 416.128469 |
| CLogP | 3.9105 |
| CLogS | -5.473 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 314.33 |
| Relative PSA | 0.23319 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -0.34472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
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