[(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
Formula:C17H12N2O3ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C17H12N2O3ClF3 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(/C=C/c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C17H12ClF3N2O3/c18-13-6-4-12(5-7-13)16(22)23-26-15(24)10-3-11-1-8-14(9-2-11)25-17(19,20)21/h1-10H,(H2,22,23) |
| InChIK | HLVOGZQMWMQXQR-UHFFFAOYSA-N |
| TotalMolweight | 384.74 |
| Molweight | 384.74 |
| MonoisotopicMass | 384.048854 |
| CLogP | 5.1063 |
| CLogS | -5.665 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.64 |
| Relative PSA | 0.21861 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -11.389 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
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