Molecule

ID:104857

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄O₄
Molecular Mass
304.38076
Exact Mass
304.16745925
Charge
0
InChI
InChI=1S/C18H24O4/c1-18-5-4-10-11(13(18)8-16(21)17(18)22)3-2-9-6-14(19)15(20)7-12(9)10/h6-7,10-11,13,16-17,19-22H,2-5,8H2,1H3
InChIKey
ZUGCDOZAVASBQT-UHFFFAOYSA-N
Canonic Smiles
OC1CC2C(C1O)(C)CCC1C2CCc2c1cc(c(c2)O)O
Isomeric Smiles
CC12CCC3C(CCc4cc(O)c(O)cc34)C1CC(O)C2O
Calculated Properties
JChem
Acid pKa
9.670306
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
2.3670032
LogD (pH = 7.4)
2.3647223
Log P
2.3670323
Molar Refractivity
83.2471
Polarizability
32.54397
Polar Surface Area
80.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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