1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(4-chlorophenyl)urea
Formula:C14H11N5OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(4-chlorophenyl)urea is a drug-like molecule.
| MolName | 1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(4-chlorophenyl)urea |
| MolecularFormula | C14H11N5OClF3 |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/NC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H11ClF3N5O/c15-9-2-4-10(5-3-9)21-13(24)23-22-12(19)11-6-1-8(7-20-11)14(16,17)18/h1-7H,(H2,19,22)(H2,21,23,24) |
| InChIK | DLZDZEQEYUAOBK-UHFFFAOYSA-N |
| TotalMolweight | 357.722 |
| Molweight | 357.722 |
| MonoisotopicMass | 357.060421 |
| CLogP | 2.8569 |
| CLogS | -4.745 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 248.82 |
| Relative PSA | 0.29624 |
| PolarSurfaceArea | 92.4 |
| Druglikeness | -4.739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(4-chlorophenyl)urea | 2 - 1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-(4-chlorophenyl)urea
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