[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-phenylpropanoate
Formula:C17H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-phenylpropanoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-phenylpropanoate |
| MolecularFormula | C17H17N2O2Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(CCc1ccccc1)=O |
| InChI | InChI=1S/C17H17ClN2O2/c18-15-9-6-14(7-10-15)12-16(19)20-22-17(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H2,19,20) |
| InChIK | DHMBWBBGJSTDQQ-UHFFFAOYSA-N |
| TotalMolweight | 316.787 |
| Molweight | 316.787 |
| MonoisotopicMass | 316.097855 |
| CLogP | 4.1287 |
| CLogS | -4.472 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.96 |
| Relative PSA | 0.20011 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -5.9185 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-phenylpropanoate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-phenylpropanoate
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