N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Formula:C13H11N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C13H11N4OBr |
| Smiles | O=C(c1ccn[nH]1)N/N=C\C=C(\c1ccccc1)/Br |
| InChI | InChI=1S/C13H11BrN4O/c14-11(10-4-2-1-3-5-10)6-8-16-18-13(19)12-7-9-15-17-12/h1-9H,(H,15,17)(H,18,19) |
| InChIK | MVRMZABYCXNHQN-UHFFFAOYSA-N |
| TotalMolweight | 319.161 |
| Molweight | 319.161 |
| MonoisotopicMass | 318.011622 |
| CLogP | 1.5772 |
| CLogS | -1.901 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 218.66 |
| Relative PSA | 0.27883 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 0.10016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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