1-benzyl-N-[(Z)-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]indole-2-carboxamide
Formula:C30H22N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]indole-2-carboxamide is not a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]indole-2-carboxamide |
| MolecularFormula | C30H22N3OF3 |
| Smiles | O=C(c1cc(cccc2)c2n1Cc1ccccc1)N/N=C(/c1ccccc1)\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C30H22F3N3O/c31-30(32,33)25-17-15-23(16-18-25)28(22-11-5-2-6-12-22)34-35-29(37)27-19-24-13-7-8-14-26(24)36(27)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,37) |
| InChIK | BBJIHCKSVHNEBU-UHFFFAOYSA-N |
| TotalMolweight | 497.519 |
| Molweight | 497.519 |
| MonoisotopicMass | 497.171496 |
| CLogP | 6.8303 |
| CLogS | -7.277 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 371.74 |
| Relative PSA | 0.11535 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.2476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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