dibenzyl-[[7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium
Formula:C35H27NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dibenzyl-[[7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium is not a drug-like molecule.
| MolName | dibenzyl-[[7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium |
| MolecularFormula | C35H27NO4F3 |
| Smiles | Oc(cc1)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(OC(C(F)(F)F)=C2Oc3cc4ccccc4cc3)c1C2=O |
| InChI | InChI=1S/C35H26F3NO4/c36-35(37,38)34-33(42-27-16-15-25-13-7-8-14-26(25)19-27)31(41)28-17-18-30(40)29(32(28)43-34)22-39(20-23-9-3-1-4-10-23)21-24-11-5-2-6-12-24/h1-19,40H,20-22H2/p+1 |
| InChIK | WXYZHTLCQIQHRV-UHFFFAOYSA-O |
| TotalMolweight | 582.596 |
| Molweight | 582.596 |
| MonoisotopicMass | 582.189218 |
| CLogP | 5.9496 |
| CLogS | -8.512 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 435.74 |
| Relative PSA | 0.14626 |
| PolarSurfaceArea | 60.2 |
| Druglikeness | -9.7358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44186 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - dibenzyl-[[7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium | 2 - dibenzyl-[[7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium
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