N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C18H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C18H15N4O2Br |
| Smiles | Cc1c(C(NN=Cc(cc(cc2)Br)c2O)=O)[nH]nc1-c1ccccc1 |
| InChI | InChI=1S/C18H15BrN4O2/c1-11-16(12-5-3-2-4-6-12)21-22-17(11)18(25)23-20-10-13-9-14(19)7-8-15(13)24/h2-10,24H,1H3,(H,21,22)(H,23,25) |
| InChIK | HMIKLTZFXCEORD-UHFFFAOYSA-N |
| TotalMolweight | 399.247 |
| Molweight | 399.247 |
| MonoisotopicMass | 398.037837 |
| CLogP | 3.6228 |
| CLogS | -4.978 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 272.32 |
| Relative PSA | 0.272 |
| PolarSurfaceArea | 90.37 |
| Druglikeness | 3.5888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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