3-(benzimidazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]propanamide
Formula:C17H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(benzimidazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]propanamide |
| MolecularFormula | C17H14N4OCl2 |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H14Cl2N4O/c18-13-4-3-5-14(19)12(13)10-21-22-17(24)8-9-23-11-20-15-6-1-2-7-16(15)23/h1-7,10-11H,8-9H2,(H,22,24) |
| InChIK | FBZQNQGWOHFXCI-UHFFFAOYSA-N |
| TotalMolweight | 361.231 |
| Molweight | 361.231 |
| MonoisotopicMass | 360.054465 |
| CLogP | 4.095 |
| CLogS | -4.804 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.91 |
| Relative PSA | 0.201 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.4456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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