(2E,3E)-2,3-bis[(4-hydroxyphenyl)methylidene]butanedinitrile
Formula:C18H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E,3E)-2,3-bis[(4-hydroxyphenyl)methylidene]butanedinitrile is a drug-like molecule.
| MolName | (2E,3E)-2,3-bis[(4-hydroxyphenyl)methylidene]butanedinitrile |
| MolecularFormula | C18H12N2O2 |
| Smiles | N#C/C(/C(/C#N)=C\c(cc1)ccc1O)=C/c(cc1)ccc1O |
| InChI | InChI=1S/C18H12N2O2/c19-11-15(9-13-1-5-17(21)6-2-13)16(12-20)10-14-3-7-18(22)8-4-14/h1-10,21-22H |
| InChIK | OKFZCZSKKKVBDG-UHFFFAOYSA-N |
| TotalMolweight | 288.305 |
| Molweight | 288.305 |
| MonoisotopicMass | 288.089878 |
| CLogP | 3.5358 |
| CLogS | -4.016 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 238.56 |
| Relative PSA | 0.22351 |
| PolarSurfaceArea | 88.04 |
| Druglikeness | -4.6418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - (2E,3E)-2,3-bis[(4-hydroxyphenyl)methylidene]butanedinitrile | 2 - (2E,3E)-2,3-bis[(4-hydroxyphenyl)methylidene]butanedinitrile
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