3-(2,3-diphenylindol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
Formula:C30H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(2,3-diphenylindol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(2,3-diphenylindol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C30H24N4O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CCn(c2c3cccc2)c(-c2ccccc2)c3-c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C30H24N4O3/c35-28(32-31-21-22-10-9-15-25(20-22)34(36)37)18-19-33-27-17-8-7-16-26(27)29(23-11-3-1-4-12-23)30(33)24-13-5-2-6-14-24/h1-17,20-21H,18-19H2,(H,32,35) |
| InChIK | ZZLYPIAUEXLQBZ-UHFFFAOYSA-N |
| TotalMolweight | 488.546 |
| Molweight | 488.546 |
| MonoisotopicMass | 488.184841 |
| CLogP | 5.8106 |
| CLogS | -7.97 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 381.5 |
| Relative PSA | 0.19214 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 1.37 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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