N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
Formula:C20H16N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C20H16N3OCl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C20H16ClN3O/c21-17(14-16-8-2-1-3-9-16)15-22-23-20(25)18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,23,25) |
| InChIK | PUADAPWQYDMJDI-UHFFFAOYSA-N |
| TotalMolweight | 349.82 |
| Molweight | 349.82 |
| MonoisotopicMass | 349.098189 |
| CLogP | 3.8664 |
| CLogS | -7.017 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.08 |
| Relative PSA | 0.15532 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.2783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide | 2 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off