[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2-phenylethyl)benzoate
Formula:C21H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2-phenylethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2-phenylethyl)benzoate |
| MolecularFormula | C21H19N3O2 |
| Smiles | N/C(/c1ccncc1)=N/OC(c1c(CCc2ccccc2)cccc1)=O |
| InChI | InChI=1S/C21H19N3O2/c22-20(18-12-14-23-15-13-18)24-26-21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,12-15H,10-11H2,(H2,22,24) |
| InChIK | GXVHAJSSABFUHH-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 4.2726 |
| CLogS | -4.379 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.3 |
| Relative PSA | 0.21843 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.8629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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