(E)-2-[(4-benzamidobenzoyl)amino]-3-phenylprop-2-enoic acid
Formula:C23H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[(4-benzamidobenzoyl)amino]-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-[(4-benzamidobenzoyl)amino]-3-phenylprop-2-enoic acid |
| MolecularFormula | C23H18N2O4 |
| Smiles | OC(/C(/NC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C23H18N2O4/c26-21(17-9-5-2-6-10-17)24-19-13-11-18(12-14-19)22(27)25-20(23(28)29)15-16-7-3-1-4-8-16/h1-15H,(H,24,26)(H,25,27)(H,28,29) |
| InChIK | CQCVLXRFASQZBR-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 | -0.3746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| 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 | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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