N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide
Formula:C18H12N4O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C18H12N4O3ClF |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F)=O |
| InChI | InChI=1S/C18H12ClFN4O3/c19-18-21-10-15(20)17(23-18)27-14-7-1-11(2-8-14)9-22-24-16(26)12-3-5-13(25)6-4-12/h1-10,25H,(H,24,26) |
| InChIK | HOQWKZYBIZEEPA-UHFFFAOYSA-N |
| TotalMolweight | 386.769 |
| Molweight | 386.769 |
| MonoisotopicMass | 386.058196 |
| CLogP | 3.9886 |
| CLogS | -6.062 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 282.39 |
| Relative PSA | 0.28701 |
| PolarSurfaceArea | 96.7 |
| Druglikeness | 2.9685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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