(3E)-4-carbazol-9-ylbuta-1,3-diene-1,1,2-tricarbonitrile
Formula:C19H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-4-carbazol-9-ylbuta-1,3-diene-1,1,2-tricarbonitrile is a drug-like molecule.
| MolName | (3E)-4-carbazol-9-ylbuta-1,3-diene-1,1,2-tricarbonitrile |
| MolecularFormula | C19H10N4 |
| Smiles | N#CC(/C=C/n1c(cccc2)c2c2c1cccc2)=C(C#N)C#N |
| InChI | InChI=1S/C19H10N4/c20-11-14(15(12-21)13-22)9-10-23-18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1-10H |
| InChIK | HIKPWXNLAVIYLV-UHFFFAOYSA-N |
| TotalMolweight | 294.316 |
| Molweight | 294.316 |
| MonoisotopicMass | 294.090546 |
| CLogP | 3.2036 |
| CLogS | -4.912 |
| H Acceptors | 4 |
| TotalSurfaceArea | 246.21 |
| Relative PSA | 0.19313 |
| PolarSurfaceArea | 76.3 |
| Druglikeness | -9.4844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,1-dinitrile |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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