(E)-N-(3-chlorophenyl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide
Formula:C29H20N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-chlorophenyl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-chlorophenyl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide |
| MolecularFormula | C29H20N3OCl |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2 |
| InChI | InChI=1S/C29H20ClN3O/c30-24-10-6-11-25(16-24)32-29(34)22(17-31)15-23-19-33(28-14-4-3-13-27(23)28)18-21-9-5-8-20-7-1-2-12-26(20)21/h1-16,19H,18H2,(H,32,34) |
| InChIK | NIUTWAJTGAYDPL-UHFFFAOYSA-N |
| TotalMolweight | 461.951 |
| Molweight | 461.951 |
| MonoisotopicMass | 461.129489 |
| CLogP | 6.3184 |
| CLogS | -7.09 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 355.99 |
| Relative PSA | 0.12621 |
| PolarSurfaceArea | 57.82 |
| Druglikeness | -0.072261 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(3-chlorophenyl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide | 2 - (E)-N-(3-chlorophenyl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off