(Z)-3-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile
Formula:C17H10N2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-3-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile |
| MolecularFormula | C17H10N2Cl2 |
| Smiles | N#C/C(/c1c[nH]c2c1cccc2)=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H10Cl2N2/c18-13-6-5-11(16(19)8-13)7-12(9-20)15-10-21-17-4-2-1-3-14(15)17/h1-8,10,21H |
| InChIK | VVHFHOXFYJGLMM-UHFFFAOYSA-N |
| TotalMolweight | 313.186 |
| Molweight | 313.186 |
| MonoisotopicMass | 312.022102 |
| CLogP | 4.584 |
| CLogS | -5.626 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 234.45 |
| Relative PSA | 0.11751 |
| PolarSurfaceArea | 39.58 |
| Druglikeness | -3.9754 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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