[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
Molecular Formula : C19H11N2O3Cl2F3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : high |[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate is not a drug-like molecule.
MolName : [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate |
MolecularFormula : C19H11N2O3Cl2F3 |
Smiles : N/C(/c(cc1)ccc1Cl)=N/OC(c1c(C(F)(F)F)oc(-c(cc2)ccc2Cl)c1)=O |
InChI : InChI=1S/C19H11Cl2F3N2O3/c20-12-5-1-10(2-6-12)15-9-14(16(28-15)19(22,23)24)18(27)29-26-17(25)11-3-7-13(21)8-4-11/h1-9H,(H2,25,26) |
InChIK : JDTKQDUEAOPONH-UHFFFAOYSA-N |
TotalMolweight : 443.207 |
Molweight : 443.207 |
MonoisotopicMass : 442.009881 |
CLogP : 6.0713 |
CLogS : -7.246 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 302.01 |
Relative PSA : 0.21168 |
PolarSurfaceArea : 77.82 |
Druglikeness : -10.664 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58621 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 2 |
Symmetricatoms : 6 |
StereoCon : |
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
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