dibenzyl-[[7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium
Formula:C35H27NO3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
dibenzyl-[[7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium is not a drug-like molecule.
| MolName | dibenzyl-[[7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium |
| MolecularFormula | C35H27NO3F3 |
| Smiles | Oc(cc1)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(OC(C(F)(F)F)=C2c3cccc4ccccc34)c1C2=O |
| InChI | InChI=1S/C35H26F3NO3/c36-35(37,38)34-31(27-17-9-15-25-14-7-8-16-26(25)27)32(41)28-18-19-30(40)29(33(28)42-34)22-39(20-23-10-3-1-4-11-23)21-24-12-5-2-6-13-24/h1-19,40H,20-22H2/p+1 |
| InChIK | YUVBHGJQXPLYCM-UHFFFAOYSA-O |
| TotalMolweight | 566.597 |
| Molweight | 566.597 |
| MonoisotopicMass | 566.194303 |
| CLogP | 5.7592 |
| CLogS | -8.081 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 425.74 |
| Relative PSA | 0.1262 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -9.3205 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40476 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 7 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - dibenzyl-[[7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium | 2 - dibenzyl-[[7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium
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