(Z)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]-3-pyridin-4-ylprop-2-enenitrile
Formula:C16H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]-3-pyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C16H12N3OCl |
| Smiles | N#C/C(/C=N\OCc(cc1)ccc1Cl)=C\c1ccncc1 |
| InChI | InChI=1S/C16H12ClN3O/c17-16-3-1-14(2-4-16)12-21-20-11-15(10-18)9-13-5-7-19-8-6-13/h1-9,11H,12H2 |
| InChIK | IYFCKMWWBCGUBP-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 3.3111 |
| CLogS | -4.147 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.14 |
| Relative PSA | 0.19014 |
| PolarSurfaceArea | 58.27 |
| Druglikeness | -3.5265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]-3-pyridin-4-ylprop-2-enenitrile | 2 - (Z)-2-[(Z)-(4-chlorophenyl)methoxyiminomethyl]-3-pyridin-4-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off