[(E)-[amino-(3-phenoxyphenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C20H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-phenoxyphenyl)methylidene]amino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-(3-phenoxyphenyl)methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C20H16N3O3Cl |
| Smiles | N/C(/c1cc(Oc2ccccc2)ccc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H16ClN3O3/c21-15-9-11-16(12-10-15)23-20(25)27-24-19(22)14-5-4-8-18(13-14)26-17-6-2-1-3-7-17/h1-13H,(H2,22,24)(H,23,25) |
| InChIK | VLHHIYDUZWSHGO-UHFFFAOYSA-N |
| TotalMolweight | 381.818 |
| Molweight | 381.818 |
| MonoisotopicMass | 381.088019 |
| CLogP | 5.0676 |
| CLogS | -7.085 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.9 |
| Relative PSA | 0.24673 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -5.6459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(3-phenoxyphenyl)methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-(3-phenoxyphenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
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