(4Z)-4-benzylidene-12-cyclopentylidene-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene
Formula:C23H23N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-benzylidene-12-cyclopentylidene-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene is a drug-like molecule.
| MolName | (4Z)-4-benzylidene-12-cyclopentylidene-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene |
| MolecularFormula | C23H23N |
| Smiles | C(CC1)CC1=C1c2nc(/C(/CC3)=C\c4ccccc4)c3cc2CC1 |
| InChI | InChI=1S/C23H23N/c1-2-6-16(7-3-1)14-18-10-11-19-15-20-12-13-21(17-8-4-5-9-17)23(20)24-22(18)19/h1-3,6-7,14-15H,4-5,8-13H2 |
| InChIK | LZAKXZDNBIHQPZ-UHFFFAOYSA-N |
| TotalMolweight | 313.443 |
| Molweight | 313.443 |
| MonoisotopicMass | 313.183049 |
| CLogP | 4.9805 |
| CLogS | -4.759 |
| H Acceptors | 1 |
| TotalSurfaceArea | 248.99 |
| Relative PSA | 0.044058 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -2.9244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-4-benzylidene-12-cyclopentylidene-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene | 2 - (4Z)-4-benzylidene-12-cyclopentylidene-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene
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