[(E)-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]amino] cyclopropanecarboxylate
Formula:C17H19N6O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C17H19N6O2Cl |
| Smiles | O=C(C1CC1)O/N=C(/Cn1nnc(N2CCCC2)n1)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H19ClN6O2/c18-14-7-5-12(6-8-14)15(21-26-16(25)13-3-4-13)11-24-20-17(19-22-24)23-9-1-2-10-23/h5-8,13H,1-4,9-11H2 |
| InChIK | XCRIVGFKVCJZJV-UHFFFAOYSA-N |
| TotalMolweight | 374.831 |
| Molweight | 374.831 |
| MonoisotopicMass | 374.125801 |
| CLogP | 3.3089 |
| CLogS | -4.299 |
| H Acceptors | 8 |
| TotalSurfaceArea | 276.76 |
| Relative PSA | 0.2814 |
| PolarSurfaceArea | 85.5 |
| Druglikeness | -1.4712 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - [(E)-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[1-(4-chlorophenyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)ethylidene]amino] cyclopropanecarboxylate
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