Molecule

ID:127303

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄O₄
Molecular Mass
304.38076
Exact Mass
304.16745925
Charge
0
InChI
InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKey
AJIPIJNNOJSSQC-NYLIRDPKSA-N
Canonic Smiles
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C
Isomeric Smiles
Oc1cc2c(cc1)[C@H]1CC[C@@]3([C@@H](O)[C@H](O)[C@H](O)[C@H]3[C@@H]1CC2)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.67
LogD (pH = 5.5)
1.67
Log P
1.67
Rotatable Bonds
0
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
10.33
Polar Surface Area
80.92
Polarizability
33.81
Molar Refractivity
82.55
LOG S
-3.29
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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