Molecule

ID:62247

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₄
Molecular Mass
312.3597
Exact Mass
312.13615912
Charge
0
InChI
InChI=1S/C19H20O4/c1-22-17-9-3-2-8-16(17)15-7-4-6-14(12-15)13-19(18(20)21)10-5-11-23-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,21)
InChIKey
ZWHDXDGHDNVCFS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1cccc(c1)CC1(CCCO1)C(=O)O
Isomeric Smiles
C1(C(=O)O)(Cc2cc(c3c(OC)cccc3)ccc2)OCCC1
Calculated Properties
JChem
Acid pKa
3.8290591
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1247983
LogD (pH = 7.4)
0.5501368
Log P
3.7989328
Molar Refractivity
87.3151
Polarizability
35.316265
Polar Surface Area
55.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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