[(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-(4-chlorophenyl)carbamate
Formula:C22H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C22H15N2O2Cl |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C\c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C22H15ClN2O2/c23-20-12-14-21(15-13-20)25-22(26)27-24-16-19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-16H,(H,25,26) |
| InChIK | OHRBSOHPRNKVOL-UHFFFAOYSA-N |
| TotalMolweight | 374.826 |
| Molweight | 374.826 |
| MonoisotopicMass | 374.082205 |
| CLogP | 6.702 |
| CLogS | -6.059 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.97 |
| Relative PSA | 0.15237 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -9.908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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