Molecule

ID:83569

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₄
Molecular Mass
296.31724
Exact Mass
296.10485899
Charge
0
InChI
InChI=1S/C18H16O4/c19-15-5-2-1-4-14(15)16(20)8-6-13-7-9-17-18(12-13)22-11-3-10-21-17/h1-2,4-9,12,19H,3,10-11H2
InChIKey
CZBXCNIZJYDXHG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)/C=C/c1ccc2c(c1)OCCCO2
Isomeric Smiles
O1c2cc(ccc2OCCC1)/C=C/C(=O)c1ccccc1O
Calculated Properties
JChem
Acid pKa
8.194441
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8089817
LogD (pH = 7.4)
3.7456944
Log P
3.8098524
Molar Refractivity
84.6807
Polarizability
32.08248
Polar Surface Area
55.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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