(7Z)-2-amino-7-benzylidene-4-phenyl-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
Formula:C22H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7Z)-2-amino-7-benzylidene-4-phenyl-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile is a drug-like molecule.
| MolName | (7Z)-2-amino-7-benzylidene-4-phenyl-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile |
| MolecularFormula | C22H18N2O |
| Smiles | NC(OC(/C(/CC1)=C\c2ccccc2)=C1C1c2ccccc2)=C1C#N |
| InChI | InChI=1S/C22H18N2O/c23-14-19-20(16-9-5-2-6-10-16)18-12-11-17(21(18)25-22(19)24)13-15-7-3-1-4-8-15/h1-10,13,20H,11-12,24H2/t20-/m0/s1 |
| InChIK | LLJLHSCOZOCNPV-FQEVSTJZSA-N |
| TotalMolweight | 326.398 |
| Molweight | 326.398 |
| MonoisotopicMass | 326.141913 |
| CLogP | 4.4808 |
| CLogS | -6.411 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.82 |
| Relative PSA | 0.1512 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -5.3994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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