dibenzyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]azanium
Formula:C30H25NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dibenzyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]azanium is a drug-like molecule.
| MolName | dibenzyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]azanium |
| MolecularFormula | C30H25NO3Cl |
| Smiles | Oc(cc1)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(OC=C2c(cc3)ccc3Cl)c1C2=O |
| InChI | InChI=1S/C30H24ClNO3/c31-24-13-11-23(12-14-24)27-20-35-30-25(29(27)34)15-16-28(33)26(30)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,20,33H,17-19H2/p+1 |
| InChIK | CJKUWAOOOBJDDN-UHFFFAOYSA-O |
| TotalMolweight | 482.985 |
| Molweight | 482.985 |
| MonoisotopicMass | 482.152296 |
| CLogP | 4.0174 |
| CLogS | -6.215 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 378.89 |
| Relative PSA | 0.14181 |
| PolarSurfaceArea | 50.97 |
| Druglikeness | -0.23259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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