1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-phenylurea
Formula:C14H12N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-phenylurea |
| MolecularFormula | C14H12N5OF3 |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/NC(Nc1ccccc1)=O |
| InChI | InChI=1S/C14H12F3N5O/c15-14(16,17)9-6-7-11(19-8-9)12(18)21-22-13(23)20-10-4-2-1-3-5-10/h1-8H,(H2,18,21)(H2,20,22,23) |
| InChIK | NMBZAFPCYILWJO-UHFFFAOYSA-N |
| TotalMolweight | 323.277 |
| Molweight | 323.277 |
| MonoisotopicMass | 323.099394 |
| CLogP | 2.2509 |
| CLogS | -4.009 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 233.4 |
| Relative PSA | 0.31581 |
| PolarSurfaceArea | 92.4 |
| Druglikeness | -4.7929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-phenylurea | 2 - 1-[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-3-phenylurea
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