[(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-phenylcarbamate
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-phenylcarbamate is not a drug-like molecule.
| MolName | [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-phenylcarbamate |
| MolecularFormula | C22H16N2O2 |
| Smiles | O=C(Nc1ccccc1)O/N=C/c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C22H16N2O2/c25-22(24-21-9-5-2-6-10-21)26-23-17-20-15-13-19(14-16-20)12-11-18-7-3-1-4-8-18/h1-10,13-17H,(H,24,25) |
| InChIK | NJZRHDBJEDMAKO-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 6.096 |
| CLogS | -5.323 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.55 |
| Relative PSA | 0.16057 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -9.985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-phenylcarbamate | 2 - [(E)-[4-(2-phenylethynyl)phenyl]methylideneamino] N-phenylcarbamate
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