(Z)-3-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)prop-2-enenitrile
Formula:C18H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)prop-2-enenitrile |
| MolecularFormula | C18H12N2O2 |
| Smiles | N#C/C(/c1c[nH]c2c1cccc2)=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H12N2O2/c19-9-13(15-10-20-16-4-2-1-3-14(15)16)7-12-5-6-17-18(8-12)22-11-21-17/h1-8,10,20H,11H2 |
| InChIK | RMAPEFMTOLQOQL-UHFFFAOYSA-N |
| TotalMolweight | 288.305 |
| Molweight | 288.305 |
| MonoisotopicMass | 288.089878 |
| CLogP | 3.4834 |
| CLogS | -4.865 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.87 |
| Relative PSA | 0.2124 |
| PolarSurfaceArea | 58.04 |
| Druglikeness | -4.1337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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