5-[(Z)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid
Formula:C23H31N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid is a drug-like molecule.
| MolName | 5-[(Z)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid |
| MolecularFormula | C23H31N3O3 |
| Smiles | OC(CCCCO/N=C(\C(Cc1ccccc1)n1cncc1)/C1CCCCC1)=O |
| InChI | InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)/t21-/m0/s1 |
| InChIK | LBMBJNYANOLTNM-NRFANRHFSA-N |
| TotalMolweight | 397.517 |
| Molweight | 397.517 |
| MonoisotopicMass | 397.236542 |
| CLogP | 4.0309 |
| CLogS | -3.361 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.15 |
| Relative PSA | 0.20018 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -3.7011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-[(Z)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid | 2 - 5-[(Z)-(1-cyclohexyl-2-imidazol-1-yl-3-phenylpropylidene)amino]oxypentanoic acid
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