2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid
Formula:C23H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid |
| MolecularFormula | C23H18N2O4 |
| Smiles | OC(c(cccc1)c1NC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C23H18N2O4/c26-21(17-11-5-2-6-12-17)25-20(15-16-9-3-1-4-10-16)22(27)24-19-14-8-7-13-18(19)23(28)29/h1-15H,(H,24,27)(H,25,26)(H,28,29) |
| InChIK | KZHJCQDMLQBCSB-UHFFFAOYSA-N |
| TotalMolweight | 386.406 |
| Molweight | 386.406 |
| MonoisotopicMass | 386.126658 |
| CLogP | 3.9089 |
| CLogS | -4.886 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 300.01 |
| Relative PSA | 0.25046 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 2.8671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off