dibenzyl-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]azanium
Formula:C30H26NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dibenzyl-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]azanium is a drug-like molecule.
| MolName | dibenzyl-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]azanium |
| MolecularFormula | C30H26NO3 |
| Smiles | Oc(cc1)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(OC=C2c3ccccc3)c1C2=O |
| InChI | InChI=1S/C30H25NO3/c32-28-17-16-25-29(33)27(24-14-8-3-9-15-24)21-34-30(25)26(28)20-31(18-22-10-4-1-5-11-22)19-23-12-6-2-7-13-23/h1-17,21,32H,18-20H2/p+1 |
| InChIK | BJCDAVFTHUQPDX-UHFFFAOYSA-O |
| TotalMolweight | 448.54 |
| Molweight | 448.54 |
| MonoisotopicMass | 448.191269 |
| CLogP | 3.4114 |
| CLogS | -5.479 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 363.47 |
| Relative PSA | 0.14783 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -0.34437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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