[(Z)-(2,4-dichlorophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
Formula:C15H9N2O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2,4-dichlorophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate is not a drug-like molecule.
| MolName | [(Z)-(2,4-dichlorophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C15H9N2O2Cl2F3 |
| Smiles | O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl2F3N2O2/c16-11-4-1-9(13(17)7-11)8-21-24-14(23)22-12-5-2-10(3-6-12)15(18,19)20/h1-8H,(H,22,23) |
| InChIK | CBORAUOUCJXRJD-UHFFFAOYSA-N |
| TotalMolweight | 377.148 |
| Molweight | 377.148 |
| MonoisotopicMass | 375.999316 |
| CLogP | 5.9723 |
| CLogS | -6.537 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.29 |
| Relative PSA | 0.17883 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -13.368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-(2,4-dichlorophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate | 2 - [(Z)-(2,4-dichlorophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
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