benzyl (E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate
Formula:C23H18N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.
| MolName | benzyl (E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate |
| MolecularFormula | C23H18N2O5 |
| Smiles | [O-][N+](c1cc(/C=C(\C(OCc2ccccc2)=O)/NC(c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H18N2O5/c26-22(19-11-5-2-6-12-19)24-21(15-18-10-7-13-20(14-18)25(28)29)23(27)30-16-17-8-3-1-4-9-17/h1-15H,16H2,(H,24,26) |
| InChIK | GFMTZAMXPIUFOU-UHFFFAOYSA-N |
| TotalMolweight | 402.405 |
| Molweight | 402.405 |
| MonoisotopicMass | 402.121573 |
| CLogP | 3.6858 |
| CLogS | -5.285 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 311.88 |
| Relative PSA | 0.24997 |
| PolarSurfaceArea | 101.22 |
| Druglikeness | -2.5571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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