1-chloro-2-[(E)-(2,3,4-triphenylcyclopenta-2,4-dien-1-ylidene)methyl]benzene
Formula:C30H21Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-chloro-2-[(E)-(2,3,4-triphenylcyclopenta-2,4-dien-1-ylidene)methyl]benzene is not a drug-like molecule.
| MolName | 1-chloro-2-[(E)-(2,3,4-triphenylcyclopenta-2,4-dien-1-ylidene)methyl]benzene |
| MolecularFormula | C30H21Cl |
| Smiles | Clc1c(/C=C(\C=C2c3ccccc3)/C(c3ccccc3)=C2c2ccccc2)cccc1 |
| InChI | InChI=1S/C30H21Cl/c31-28-19-11-10-18-25(28)20-26-21-27(22-12-4-1-5-13-22)30(24-16-8-3-9-17-24)29(26)23-14-6-2-7-15-23/h1-21H |
| InChIK | XHNJIIDGEUZRCR-UHFFFAOYSA-N |
| TotalMolweight | 416.95 |
| Molweight | 416.95 |
| MonoisotopicMass | 416.133177 |
| CLogP | 7.278 |
| CLogS | -6.425 |
| TotalSurfaceArea | 326.8 |
| Druglikeness | -0.22083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 1-chloro-2-[(E)-(2,3,4-triphenylcyclopenta-2,4-dien-1-ylidene)methyl]benzene | 2 - 1-chloro-2-[(E)-(2,3,4-triphenylcyclopenta-2,4-dien-1-ylidene)methyl]benzene
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