[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] cyclopropanecarboxylate
Formula:C18H17N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C18H17N2O3Cl |
| Smiles | N/C(/c(cc1)ccc1OCc(cc1)ccc1Cl)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C18H17ClN2O3/c19-15-7-1-12(2-8-15)11-23-16-9-5-13(6-10-16)17(20)21-24-18(22)14-3-4-14/h1-2,5-10,14H,3-4,11H2,(H2,20,21) |
| InChIK | KGLROPAFYVOXJE-UHFFFAOYSA-N |
| TotalMolweight | 344.797 |
| Molweight | 344.797 |
| MonoisotopicMass | 344.09277 |
| CLogP | 3.9005 |
| CLogS | -4.959 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.96 |
| Relative PSA | 0.2319 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -1.2982 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] cyclopropanecarboxylate
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