[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] cyclopropanecarboxylate
Formula:C14H14N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C14H14N4O2S |
| Smiles | N/C(/Cc(cc1)ccc1-c1csnn1)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C14H14N4O2S/c15-13(17-20-14(19)11-5-6-11)7-9-1-3-10(4-2-9)12-8-21-18-16-12/h1-4,8,11H,5-7H2,(H2,15,17) |
| InChIK | RBPYDCOEHUEUKI-UHFFFAOYSA-N |
| TotalMolweight | 302.357 |
| Molweight | 302.357 |
| MonoisotopicMass | 302.083746 |
| CLogP | 2.6255 |
| CLogS | -4.262 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226 |
| Relative PSA | 0.40761 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -4.577 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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