(7Z)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
Formula:C22H16N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(7Z)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile is not a drug-like molecule.
| MolName | (7Z)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile |
| MolecularFormula | C22H16N2OCl2 |
| Smiles | NC(OC(/C(/CC1)=C\c(cccc2)c2Cl)=C1C1c(cccc2)c2Cl)=C1C#N |
| InChI | InChI=1S/C22H16Cl2N2O/c23-18-7-3-1-5-13(18)11-14-9-10-16-20(15-6-2-4-8-19(15)24)17(12-25)22(26)27-21(14)16/h1-8,11,20H,9-10,26H2/t20-/m0/s1 |
| InChIK | PHVJIUXRWPYOJS-FQEVSTJZSA-N |
| TotalMolweight | 395.288 |
| Molweight | 395.288 |
| MonoisotopicMass | 394.063967 |
| CLogP | 5.6928 |
| CLogS | -7.883 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 287.66 |
| Relative PSA | 0.13499 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -5.2933 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (7Z)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile | 2 - (7Z)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
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