(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
Formula:C16H11NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid |
| MolecularFormula | C16H11NO4Cl2 |
| Smiles | OC(/C(/NC(c(ccc(Cl)c1)c1Cl)=O)=C\c(cc1)ccc1O)=O |
| InChI | InChI=1S/C16H11Cl2NO4/c17-10-3-6-12(13(18)8-10)15(21)19-14(16(22)23)7-9-1-4-11(20)5-2-9/h1-8,20H,(H,19,21)(H,22,23) |
| InChIK | IOSHNKLUYQFSGX-UHFFFAOYSA-N |
| TotalMolweight | 352.172 |
| Molweight | 352.172 |
| MonoisotopicMass | 351.006513 |
| CLogP | 3.6277 |
| CLogS | -4.55 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 248.23 |
| Relative PSA | 0.25678 |
| PolarSurfaceArea | 86.63 |
| Druglikeness | -0.31261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid | 2 - (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
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