(E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Formula:C26H28N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine is not a drug-like molecule.
| MolName | (E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine |
| MolecularFormula | C26H28N3OCl |
| Smiles | Clc1cc(N2CCN(CCCO/N=C(\CC3)/c4c3c3ccccc3cc4)CC2)ccc1 |
| InChI | InChI=1S/C26H28ClN3O/c27-21-6-3-7-22(19-21)30-16-14-29(15-17-30)13-4-18-31-28-26-12-11-24-23-8-2-1-5-20(23)9-10-25(24)26/h1-3,5-10,19H,4,11-18H2 |
| InChIK | OJTNODFRZTYPCA-UHFFFAOYSA-N |
| TotalMolweight | 433.981 |
| Molweight | 433.981 |
| MonoisotopicMass | 433.192089 |
| CLogP | 6.2765 |
| CLogS | -6.447 |
| H Acceptors | 4 |
| TotalSurfaceArea | 333.45 |
| Relative PSA | 0.0858 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.9775 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine | 2 - (E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine
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