(E)-3-(4-bromophenyl)-1-[3-[(4-nitrophenyl)methylideneamino]phenyl]prop-2-en-1-one
Formula:C22H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-[3-[(4-nitrophenyl)methylideneamino]phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-[3-[(4-nitrophenyl)methylideneamino]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H15N2O3Br |
| Smiles | [O-][N+](c1ccc(/C=N/c2cccc(C(/C=C/c(cc3)ccc3Br)=O)c2)cc1)=O |
| InChI | InChI=1S/C22H15BrN2O3/c23-19-9-4-16(5-10-19)8-13-22(26)18-2-1-3-20(14-18)24-15-17-6-11-21(12-7-17)25(27)28/h1-15H |
| InChIK | OLWPMAGIHHVPIV-UHFFFAOYSA-N |
| TotalMolweight | 435.276 |
| Molweight | 435.276 |
| MonoisotopicMass | 434.026604 |
| CLogP | 4.4812 |
| CLogS | -6.676 |
| H Acceptors | 5 |
| TotalSurfaceArea | 304.09 |
| Relative PSA | 0.18077 |
| PolarSurfaceArea | 75.25 |
| Druglikeness | -5.7339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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