2-[4-[(Z)-hydroxyiminomethyl]-1-phenylpyrazol-3-yl]benzo[f]chromen-3-one
Formula:C23H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-[(Z)-hydroxyiminomethyl]-1-phenylpyrazol-3-yl]benzo[f]chromen-3-one is a drug-like molecule.
| MolName | 2-[4-[(Z)-hydroxyiminomethyl]-1-phenylpyrazol-3-yl]benzo[f]chromen-3-one |
| MolecularFormula | C23H15N3O3 |
| Smiles | O/N=C\c1cn(-c2ccccc2)nc1C1=Cc(c2ccccc2cc2)c2OC1=O |
| InChI | InChI=1S/C23H15N3O3/c27-23-20(12-19-18-9-5-4-6-15(18)10-11-21(19)29-23)22-16(13-24-28)14-26(25-22)17-7-2-1-3-8-17/h1-14,28H |
| InChIK | ASLBRCPKQWLVCV-UHFFFAOYSA-N |
| TotalMolweight | 381.39 |
| Molweight | 381.39 |
| MonoisotopicMass | 381.111342 |
| CLogP | 3.7245 |
| CLogS | -5.391 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.41 |
| Relative PSA | 0.22946 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 3.2686 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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