2-[2-[(Z)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C16H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C16H16N4O4 |
| Smiles | OC(COc1c(/C=N\NC(c2n[nH]c3c2CCC3)=O)cccc1)=O |
| InChI | InChI=1S/C16H16N4O4/c21-14(22)9-24-13-7-2-1-4-10(13)8-17-20-16(23)15-11-5-3-6-12(11)18-19-15/h1-2,4,7-8H,3,5-6,9H2,(H,18,19)(H,20,23)(H,21,22) |
| InChIK | UUGKXKRQRZBPSY-UHFFFAOYSA-N |
| TotalMolweight | 328.327 |
| Molweight | 328.327 |
| MonoisotopicMass | 328.117156 |
| CLogP | 1.078 |
| CLogS | -2.957 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 250.96 |
| Relative PSA | 0.38695 |
| PolarSurfaceArea | 116.67 |
| Druglikeness | 3.3811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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