(4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
Formula:C27H18O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one |
| MolecularFormula | C27H18O2 |
| Smiles | Oc1ccc(/C(/c2ccccc2)=C(/C=C2)\c(cccc3)c3C2=O)c2ccccc12 |
| InChI | InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H |
| InChIK | VDDWRTZCUJCDJM-UHFFFAOYSA-N |
| TotalMolweight | 374.438 |
| Molweight | 374.438 |
| MonoisotopicMass | 374.13068 |
| CLogP | 4.8844 |
| CLogS | -6.538 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 287.4 |
| Relative PSA | 0.090953 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.29395 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37931 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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