4-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]aniline
Formula:C14H15N
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]aniline is a drug-like molecule.
| MolName | 4-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]aniline |
| MolecularFormula | C14H15N |
| Smiles | Nc1ccc(/C=C/C2C=CC=CC2)cc1 |
| InChI | InChI=1S/C14H15N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-4,6-12H,5,15H2/t12-/m0/s1 |
| InChIK | AKYSKUJKWIDLEY-LBPRGKRZSA-N |
| TotalMolweight | 197.28 |
| Molweight | 197.28 |
| MonoisotopicMass | 197.120449 |
| CLogP | 2.8662 |
| CLogS | -3.47 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 174.04 |
| Relative PSA | 0.087738 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -1.8852 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - 4-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]aniline | 2 - 4-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]aniline
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