[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C19H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H14N3O2Cl |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C(/c1ccccc1)\c1ccncc1 |
| InChI | InChI=1S/C19H14ClN3O2/c20-16-6-8-17(9-7-16)22-19(24)25-23-18(14-4-2-1-3-5-14)15-10-12-21-13-11-15/h1-13H,(H,22,24) |
| InChIK | MDMRTAIUIVEINI-UHFFFAOYSA-N |
| TotalMolweight | 351.792 |
| Molweight | 351.792 |
| MonoisotopicMass | 351.077454 |
| CLogP | 4.7138 |
| CLogS | -6.004 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.14 |
| Relative PSA | 0.21171 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -5.4653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
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