(3Z)-3-hydroxyimino-1-phenylcyclopentane-1-carboxylic acid
Formula:C12H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-hydroxyimino-1-phenylcyclopentane-1-carboxylic acid is a drug-like molecule.
| MolName | (3Z)-3-hydroxyimino-1-phenylcyclopentane-1-carboxylic acid |
| MolecularFormula | C12H13NO3 |
| Smiles | OC(C(CC1)(C/C1=N\O)c1ccccc1)=O |
| InChI | InChI=1S/C12H13NO3/c14-11(15)12(7-6-10(8-12)13-16)9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,14,15)/t12-/m1/s1 |
| InChIK | MRYHPMDJRYAWQT-GFCCVEGCSA-N |
| TotalMolweight | 219.239 |
| Molweight | 219.239 |
| MonoisotopicMass | 219.089544 |
| CLogP | 1.8631 |
| CLogS | -2.904 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 164.87 |
| Relative PSA | 0.30782 |
| PolarSurfaceArea | 69.89 |
| Druglikeness | -2.4695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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