Molecule

ID:58801

General Information
Structure
Molecular Formula
C₁₉H₁₈O₃
Molecular Mass
294.34442
Exact Mass
294.12559444
Charge
0
InChI
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChIKey
ZHGKQUXXASLVQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)cccc2
Isomeric Smiles
c1ccc2oc(c(c2c1)C(=O)c1ccc(cc1)O)CCCC
Calculated Properties
JChem
Acid pKa
7.796663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8972044
LogD (pH = 7.4)
4.7540336
Log P
4.899378
Molar Refractivity
86.3312
Polarizability
34.280125
Polar Surface Area
50.44
Rotatable Bonds
5
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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