N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
Formula:C16H15N4OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-cyclopropyl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C16H15N4OBr |
| Smiles | O=C(c1n[nH]c(C2CC2)c1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C16H15BrN4O/c17-13(8-11-4-2-1-3-5-11)10-18-21-16(22)15-9-14(19-20-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,19,20)(H,21,22) |
| InChIK | HRMHTTWDTAQSBJ-UHFFFAOYSA-N |
| TotalMolweight | 359.226 |
| Molweight | 359.226 |
| MonoisotopicMass | 358.042922 |
| CLogP | 2.9249 |
| CLogS | -4.424 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.18 |
| Relative PSA | 0.24867 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 1.2167 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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