2-amino-3-[(Z)-naphthalen-2-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C16H11N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-naphthalen-2-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-naphthalen-2-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C16H11N4OF3 |
| Smiles | NC(N1/N=C\c2cc3ccccc3cc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C16H11F3N4O/c17-16(18,19)13-8-14(24)23(15(20)22-13)21-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-9H,(H2,20,22) |
| InChIK | UUEJKPRUYKYSTJ-UHFFFAOYSA-N |
| TotalMolweight | 332.284 |
| Molweight | 332.284 |
| MonoisotopicMass | 332.088495 |
| CLogP | 2.7262 |
| CLogS | -5.589 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.83 |
| Relative PSA | 0.23571 |
| PolarSurfaceArea | 71.05 |
| Druglikeness | -4.175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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