(Z)-3-(benzylamino)-1-phenylprop-2-en-1-one
Formula:C16H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(benzylamino)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(benzylamino)-1-phenylprop-2-en-1-one |
| MolecularFormula | C16H15NO |
| Smiles | O=C(/C=C\NCc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C16H15NO/c18-16(15-9-5-2-6-10-15)11-12-17-13-14-7-3-1-4-8-14/h1-12,17H,13H2 |
| InChIK | IVRRMSTXQCAAKY-UHFFFAOYSA-N |
| TotalMolweight | 237.301 |
| Molweight | 237.301 |
| MonoisotopicMass | 237.115364 |
| CLogP | 2.1839 |
| CLogS | -3.602 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 202.49 |
| Relative PSA | 0.12099 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.11 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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