4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
Formula:C18H13N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid |
| MolecularFormula | C18H13N2O4Cl |
| Smiles | OC(c1ccc(/C=C(/C(N2Cc(cc3)ccc3Cl)=O)\NC2=O)cc1)=O |
| InChI | InChI=1S/C18H13ClN2O4/c19-14-7-3-12(4-8-14)10-21-16(22)15(20-18(21)25)9-11-1-5-13(6-2-11)17(23)24/h1-9H,10H2,(H,20,25)(H,23,24) |
| InChIK | QMMXEVDENPVEPM-UHFFFAOYSA-N |
| TotalMolweight | 356.764 |
| Molweight | 356.764 |
| MonoisotopicMass | 356.056385 |
| CLogP | 2.6304 |
| CLogS | -4.446 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.77 |
| Relative PSA | 0.26389 |
| PolarSurfaceArea | 86.71 |
| Druglikeness | 4.8209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid | 2 - 4-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off