N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
Formula:C18H16N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide |
| MolecularFormula | C18H16N3OBr |
| Smiles | O=C(CCc1c[nH]c2c1cccc2)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H16BrN3O/c19-15-8-5-13(6-9-15)11-21-22-18(23)10-7-14-12-20-17-4-2-1-3-16(14)17/h1-6,8-9,11-12,20H,7,10H2,(H,22,23) |
| InChIK | FMHVTLLHPYFLII-UHFFFAOYSA-N |
| TotalMolweight | 370.249 |
| Molweight | 370.249 |
| MonoisotopicMass | 369.047673 |
| CLogP | 4.4187 |
| CLogS | -5.315 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 257.31 |
| Relative PSA | 0.19432 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 2.0214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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