N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide
Formula:C13H13N2OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide |
| MolecularFormula | C13H13N2OBr |
| Smiles | O=C(C1CC1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C13H13BrN2O/c14-12(8-10-4-2-1-3-5-10)9-15-16-13(17)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,16,17) |
| InChIK | HMOTYVUWCHRUBV-UHFFFAOYSA-N |
| TotalMolweight | 293.163 |
| Molweight | 293.163 |
| MonoisotopicMass | 292.021124 |
| CLogP | 2.6868 |
| CLogS | -4.192 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.09 |
| Relative PSA | 0.18271 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.56896 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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