N-[(Z)-(4-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
Formula:C15H11N4O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H11N4O2Br |
| Smiles | O=C(c1n[nH]c(-c2ccco2)c1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrN4O2/c16-11-5-3-10(4-6-11)9-17-20-15(21)13-8-12(18-19-13)14-2-1-7-22-14/h1-9H,(H,18,19)(H,20,21) |
| InChIK | AFNPDRLXEHUQPS-UHFFFAOYSA-N |
| TotalMolweight | 359.182 |
| Molweight | 359.182 |
| MonoisotopicMass | 358.006537 |
| CLogP | 2.8503 |
| CLogS | -4.28 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.4 |
| Relative PSA | 0.30846 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 3.8557 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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