(3E)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
Formula:C23H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one is a drug-like molecule.
| MolName | (3E)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one |
| MolecularFormula | C23H16N4O2 |
| Smiles | O=C(/C1=C/c(cc2)ccc2-c2n[nH]nn2)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C23H16N4O2/c28-21-18-8-4-5-9-20(18)29-22(16-6-2-1-3-7-16)19(21)14-15-10-12-17(13-11-15)23-24-26-27-25-23/h1-14,22H,(H,24,25,26,27)/t22-/m0/s1 |
| InChIK | QAVWDMZNEFIQHK-QFIPXVFZSA-N |
| TotalMolweight | 380.406 |
| Molweight | 380.406 |
| MonoisotopicMass | 380.127326 |
| CLogP | 4.2064 |
| CLogS | -6.204 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.85 |
| Relative PSA | 0.2413 |
| PolarSurfaceArea | 80.76 |
| Druglikeness | -2.037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon | racemate |
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