2-(4-aminophenyl)naphthalene-1-carbaldehyde
Formula:C17H13NO
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-aminophenyl)naphthalene-1-carbaldehyde is a drug-like molecule.
| MolName | 2-(4-aminophenyl)naphthalene-1-carbaldehyde |
| MolecularFormula | C17H13NO |
| Smiles | Nc(cc1)ccc1-c1c(C=O)c2ccccc2cc1 |
| InChI | InChI=1S/C17H13NO/c18-14-8-5-13(6-9-14)16-10-7-12-3-1-2-4-15(12)17(16)11-19/h1-11H,18H2 |
| InChIK | ZROJQJOTZZUEMD-UHFFFAOYSA-N |
| TotalMolweight | 247.296 |
| Molweight | 247.296 |
| MonoisotopicMass | 247.099714 |
| CLogP | 3.7692 |
| CLogS | -5.708 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.68 |
| Relative PSA | 0.14467 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -3.879 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-aminophenyl)naphthalene-1-carbaldehyde | 2 - 2-(4-aminophenyl)naphthalene-1-carbaldehyde
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off