8-[[bis(prop-2-enyl)amino]methyl]-7-hydroxy-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one
Formula:C27H22NO4F3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
8-[[bis(prop-2-enyl)amino]methyl]-7-hydroxy-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.
| MolName | 8-[[bis(prop-2-enyl)amino]methyl]-7-hydroxy-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C27H22NO4F3 |
| Smiles | C=CCN(CC=C)Cc(c(OC(C(F)(F)F)=C1Oc2cc3ccccc3cc2)c(cc2)C1=O)c2O |
| InChI | InChI=1S/C27H22F3NO4/c1-3-13-31(14-4-2)16-21-22(32)12-11-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-10-9-17-7-5-6-8-18(17)15-19/h3-12,15,32H,1-2,13-14,16H2 |
| InChIK | CQINOMIITKNALV-UHFFFAOYSA-N |
| TotalMolweight | 481.469 |
| Molweight | 481.469 |
| MonoisotopicMass | 481.150093 |
| CLogP | 5.8301 |
| CLogS | -6.884 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.26 |
| Relative PSA | 0.14146 |
| PolarSurfaceArea | 59 |
| Druglikeness | -9.2612 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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