2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoic acid
Formula:C15H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C15H18N2O3 |
| Smiles | OC(c1c(/C=N\NC(C2CCCCC2)=O)cccc1)=O |
| InChI | InChI=1S/C15H18N2O3/c18-14(11-6-2-1-3-7-11)17-16-10-12-8-4-5-9-13(12)15(19)20/h4-5,8-11H,1-3,6-7H2,(H,17,18)(H,19,20) |
| InChIK | DVCVXMITOWOEMQ-UHFFFAOYSA-N |
| TotalMolweight | 274.319 |
| Molweight | 274.319 |
| MonoisotopicMass | 274.131743 |
| CLogP | 2.587 |
| CLogS | -3.89 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 219.13 |
| Relative PSA | 0.28362 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -0.036495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoic acid | 2 - 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoic acid
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