N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C16H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-nitro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C16H12N3O2F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C(/CC1)\c2c1cccc2)=O |
| InChI | InChI=1S/C16H12F3N3O2/c17-16(18,19)11-6-8-14(15(9-11)22(23)24)21-20-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,21H,5,7H2 |
| InChIK | APWIDOGDCMFQIZ-UHFFFAOYSA-N |
| TotalMolweight | 335.284 |
| Molweight | 335.284 |
| MonoisotopicMass | 335.088161 |
| CLogP | 5.0983 |
| CLogS | -5.066 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.6 |
| Relative PSA | 0.22758 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -12.203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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