N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C14H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-nitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H12N3O2F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C1\C2C=CCC2C1)=O |
| InChI | InChI=1S/C14H12F3N3O2/c15-14(16,17)9-4-5-11(13(7-9)20(21)22)18-19-12-6-8-2-1-3-10(8)12/h1,3-5,7-8,10,18H,2,6H2 |
| InChIK | LKCYTABZOKHKEN-UHFFFAOYSA-N |
| TotalMolweight | 311.262 |
| Molweight | 311.262 |
| MonoisotopicMass | 311.088161 |
| CLogP | 4.1463 |
| CLogS | -4.157 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.84 |
| Relative PSA | 0.25085 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -12.072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-nitro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-nitro-4-(trifluoromethyl)aniline
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