1-[(4-bromophenyl)methyl]-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C18H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C18H15N4O2Br |
| Smiles | Oc1c(C=NNC(c2nn(Cc(cc3)ccc3Br)cc2)=O)cccc1 |
| InChI | InChI=1S/C18H15BrN4O2/c19-15-7-5-13(6-8-15)12-23-10-9-16(22-23)18(25)21-20-11-14-3-1-2-4-17(14)24/h1-11,24H,12H2,(H,21,25) |
| InChIK | UTLPHZFIMSIGKG-UHFFFAOYSA-N |
| TotalMolweight | 399.247 |
| Molweight | 399.247 |
| MonoisotopicMass | 398.037837 |
| CLogP | 3.0549 |
| CLogS | -3.84 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 273.45 |
| Relative PSA | 0.24483 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 5.3839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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