Molecule

ID:127416

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₄
Molecular Mass
316.39146
Exact Mass
316.16745925
Charge
0
InChI
InChI=1S/C19H24O4/c1-13(2)5-4-6-14(3)11-12-22-19-16(20)9-7-15-8-10-17(21)23-18(15)19/h7-11,13,20H,4-6,12H2,1-3H3
InChIKey
ATKUFZHTQAERBN-UHFFFAOYSA-N
Canonic Smiles
CC(CCC/C(=C/COc1c(O)ccc2c1oc(=O)cc2)/C)C
Isomeric Smiles
O=c1oc2c(OC/C=C(\C)/CCCC(C)C)c(O)ccc2cc1
Calculated Properties
JChem
Acid pKa
8.35742
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.7480645
LogD (pH = 7.4)
4.703556
Log P
4.748663
Molar Refractivity
92.0635
Polarizability
35.153465
Polar Surface Area
55.76
Rotatable Bonds
7
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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