(E)-3-(3-benzamidophenyl)prop-2-enoate
Formula:C16H12NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-benzamidophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(3-benzamidophenyl)prop-2-enoate |
| MolecularFormula | C16H12NO3 |
| Smiles | [O-]C(/C=C/c1cccc(NC(c2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C16H13NO3/c18-15(19)10-9-12-5-4-8-14(11-12)17-16(20)13-6-2-1-3-7-13/h1-11H,(H,17,20)(H,18,19)/p-1 |
| InChIK | JFXQFZAMJHVJLJ-UHFFFAOYSA-M |
| TotalMolweight | 266.275 |
| Molweight | 266.275 |
| MonoisotopicMass | 266.081719 |
| CLogP | 0.5454 |
| CLogS | -3.511 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.01 |
| Relative PSA | 0.24214 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | 1.3918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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