N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanamide
Formula:C18H17N2O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanamide |
| MolecularFormula | C18H17N2O2Br |
| Smiles | Oc1ccc(CCC(N/N=C\C(\Br)=C\c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C18H17BrN2O2/c19-16(12-15-4-2-1-3-5-15)13-20-21-18(23)11-8-14-6-9-17(22)10-7-14/h1-7,9-10,12-13,22H,8,11H2,(H,21,23) |
| InChIK | SLHAGSHBWWCKSC-UHFFFAOYSA-N |
| TotalMolweight | 373.249 |
| Molweight | 373.249 |
| MonoisotopicMass | 372.047339 |
| CLogP | 3.9193 |
| CLogS | -4.785 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.2 |
| Relative PSA | 0.18588 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -1.9055 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-hydroxyphenyl)propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off