(E)-N-(4-nitrophenyl)-3-phenylprop-2-en-1-imine
Formula:C15H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-nitrophenyl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-N-(4-nitrophenyl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C15H12N2O2 |
| Smiles | [O-][N+](c(cc1)ccc1/N=C/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H12N2O2/c18-17(19)15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12H |
| InChIK | RXBUYUMXXZKCCT-UHFFFAOYSA-N |
| TotalMolweight | 252.272 |
| Molweight | 252.272 |
| MonoisotopicMass | 252.089878 |
| CLogP | 2.1301 |
| CLogS | -3.91 |
| H Acceptors | 4 |
| TotalSurfaceArea | 207.95 |
| Relative PSA | 0.20164 |
| PolarSurfaceArea | 58.18 |
| Druglikeness | -5.4182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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