[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C20H14N4O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C20H14N4O3ClF3 |
| Smiles | N/C(/c(cc1)ccc1Oc1ncc(C(F)(F)F)cc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H14ClF3N4O3/c21-14-4-6-15(7-5-14)27-19(29)31-28-18(25)12-1-8-16(9-2-12)30-17-10-3-13(11-26-17)20(22,23)24/h1-11H,(H2,25,28)(H,27,29) |
| InChIK | MIJVSHAMYIALMF-UHFFFAOYSA-N |
| TotalMolweight | 450.803 |
| Molweight | 450.803 |
| MonoisotopicMass | 450.070652 |
| CLogP | 5.2664 |
| CLogS | -7.593 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 317.12 |
| Relative PSA | 0.25937 |
| PolarSurfaceArea | 98.83 |
| Druglikeness | -12.836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
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