(3Z)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
Formula:C13H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid is a drug-like molecule.
| MolName | (3Z)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid |
| MolecularFormula | C13H15N3O3 |
| Smiles | NC(N/N=C(/CC1)\CC1(C(O)=O)c1ccccc1)=O |
| InChI | InChI=1S/C13H15N3O3/c14-12(19)16-15-10-6-7-13(8-10,11(17)18)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H3,14,16,19)/t13-/m1/s1 |
| InChIK | YZTPLWWUDDJENJ-CYBMUJFWSA-N |
| TotalMolweight | 261.28 |
| Molweight | 261.28 |
| MonoisotopicMass | 261.111342 |
| CLogP | 0.7841 |
| CLogS | -3.403 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 196.25 |
| Relative PSA | 0.3945 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | 1.3292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (3Z)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid | 2 - (3Z)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
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