(2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile
Formula:C18H11N2OCl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile is a drug-like molecule.
| MolName | (2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile |
| MolecularFormula | C18H11N2OCl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C(\C=C1)/c(cccc2)c2/C1=N/O |
| InChI | InChI=1S/C18H11ClN2O/c19-13-7-5-12(6-8-13)17(11-20)15-9-10-18(21-22)16-4-2-1-3-14(15)16/h1-10,22H |
| InChIK | DGDRKPDZPJGAOV-UHFFFAOYSA-N |
| TotalMolweight | 306.751 |
| Molweight | 306.751 |
| MonoisotopicMass | 306.05599 |
| CLogP | 4.1804 |
| CLogS | -5.011 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.39 |
| Relative PSA | 0.16216 |
| PolarSurfaceArea | 56.38 |
| Druglikeness | -5.19 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile | 2 - (2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off