N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
Formula:C17H13N4O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide |
| MolecularFormula | C17H13N4O2Br |
| Smiles | O=C(c1n[nH]c(-c2ccco2)c1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C17H13BrN4O2/c18-13(9-12-5-2-1-3-6-12)11-19-22-17(23)15-10-14(20-21-15)16-7-4-8-24-16/h1-11H,(H,20,21)(H,22,23) |
| InChIK | PCXZMSLUXJTINS-UHFFFAOYSA-N |
| TotalMolweight | 385.22 |
| Molweight | 385.22 |
| MonoisotopicMass | 384.022187 |
| CLogP | 2.736 |
| CLogS | -4.571 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.11 |
| Relative PSA | 0.28003 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 0.27571 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
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