2,4-dichloro-N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]benzamide
Formula:C17H15N2O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C17H15N2O2Cl2F |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OCCCF |
| InChI | InChI=1S/C17H15Cl2FN2O2/c18-13-4-7-15(16(19)10-13)17(23)22-21-11-12-2-5-14(6-3-12)24-9-1-8-20/h2-7,10-11H,1,8-9H2,(H,22,23) |
| InChIK | HLBOVPOURKLMED-UHFFFAOYSA-N |
| TotalMolweight | 369.222 |
| Molweight | 369.222 |
| MonoisotopicMass | 368.04946 |
| CLogP | 4.9787 |
| CLogS | -5.856 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.46 |
| Relative PSA | 0.16703 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.3531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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