[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenyl)acetate
Formula:C14H12N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenyl)acetate |
| MolecularFormula | C14H12N3O2Cl |
| Smiles | N/C(/c1cnccc1)=N/OC(Cc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H12ClN3O2/c15-12-5-3-10(4-6-12)8-13(19)20-18-14(16)11-2-1-7-17-9-11/h1-7,9H,8H2,(H2,16,18) |
| InChIK | UCEJNSFVFURQLO-UHFFFAOYSA-N |
| TotalMolweight | 289.721 |
| Molweight | 289.721 |
| MonoisotopicMass | 289.061804 |
| CLogP | 2.6753 |
| CLogS | -3.442 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.2 |
| Relative PSA | 0.27607 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.7305 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenyl)acetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenyl)acetate
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