N-[(Z)-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amino]aniline
Formula:C30H26N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amino]aniline |
| MolecularFormula | C30H26N2 |
| Smiles | C(C(C(c1ccccc1)C(c1ccccc1)=C1)c2ccccc2)/C1=N/Nc1ccccc1 |
| InChI | InChI=1S/C30H26N2/c1-5-13-23(14-6-1)28-21-27(32-31-26-19-11-4-12-20-26)22-29(24-15-7-2-8-16-24)30(28)25-17-9-3-10-18-25/h1-21,29-31H,22H2 |
| InChIK | ZXQLPFHZTSVVFY-UHFFFAOYSA-N |
| TotalMolweight | 414.55 |
| Molweight | 414.55 |
| MonoisotopicMass | 414.209598 |
| CLogP | 9.0602 |
| CLogS | -6.206 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 336.94 |
| Relative PSA | 0.068172 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.0308 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amino]aniline | 2 - N-[(Z)-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amino]aniline
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