Molecule

ID:125469

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀O₄
Molecular Mass
300.349
Exact Mass
300.13615912
Charge
0
InChI
InChI=1S/C18H20O4/c1-19-13-6-4-12(5-7-13)16-9-8-15-17(21-3)10-14(20-2)11-18(15)22-16/h4-7,10-11,16H,8-9H2,1-3H3
InChIKey
NODOVAFZWHOGIU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CCc2c(O1)cc(cc2OC)OC
Isomeric Smiles
c1(C2CCc3c(O2)cc(OC)cc3OC)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.611258
LogD (pH = 7.4)
3.611258
Log P
3.611258
Molar Refractivity
84.1042
Polarizability
32.86358
Polar Surface Area
36.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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