(E)-1-(2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Formula:C17H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C17H14N2O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(N(CC2)c3c2cccc3)=O)ccc1)=O |
| InChI | InChI=1S/C17H14N2O3/c20-17(18-11-10-14-5-1-2-7-16(14)18)9-8-13-4-3-6-15(12-13)19(21)22/h1-9,12H,10-11H2 |
| InChIK | UUVMOUIRARVMEX-UHFFFAOYSA-N |
| TotalMolweight | 294.309 |
| Molweight | 294.309 |
| MonoisotopicMass | 294.100443 |
| CLogP | 2.6015 |
| CLogS | -4.283 |
| H Acceptors | 5 |
| TotalSurfaceArea | 225.26 |
| Relative PSA | 0.20869 |
| PolarSurfaceArea | 66.13 |
| Druglikeness | -3.2377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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