[(E)-(4-oxonaphthalen-1-ylidene)amino] benzoate
Formula:C17H11NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(4-oxonaphthalen-1-ylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(4-oxonaphthalen-1-ylidene)amino] benzoate |
| MolecularFormula | C17H11NO3 |
| Smiles | O=C(c1ccccc1)O/N=C(\C=C1)/c(cccc2)c2C1=O |
| InChI | InChI=1S/C17H11NO3/c19-16-11-10-15(13-8-4-5-9-14(13)16)18-21-17(20)12-6-2-1-3-7-12/h1-11H |
| InChIK | WVAPBLNYFKRVPW-UHFFFAOYSA-N |
| TotalMolweight | 277.278 |
| Molweight | 277.278 |
| MonoisotopicMass | 277.073894 |
| CLogP | 3.7646 |
| CLogS | -4.673 |
| H Acceptors | 4 |
| TotalSurfaceArea | 214.49 |
| Relative PSA | 0.22188 |
| PolarSurfaceArea | 55.73 |
| Druglikeness | -1.4975 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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