dibenzyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium
Formula:C28H28NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
dibenzyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium is a drug-like molecule.
| MolName | dibenzyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium |
| MolecularFormula | C28H28NO3 |
| Smiles | Oc(cc1)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(O2)c1C(CCCC1)=C1C2=O |
| InChI | InChI=1S/C28H27NO3/c30-26-16-15-23-22-13-7-8-14-24(22)28(31)32-27(23)25(26)19-29(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21/h1-6,9-12,15-16,30H,7-8,13-14,17-19H2/p+1 |
| InChIK | DYIRXYJSZROQEG-UHFFFAOYSA-O |
| TotalMolweight | 426.534 |
| Molweight | 426.534 |
| MonoisotopicMass | 426.206919 |
| CLogP | 3.1537 |
| CLogS | -4.713 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 343.46 |
| Relative PSA | 0.15644 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -5.3195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - dibenzyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium | 2 - dibenzyl-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methyl]azanium
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