Molecule

ID:110262

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₂
Molecular Mass
254.32362
Exact Mass
254.13067982
Charge
0
InChI
InChI=1S/C17H18O2/c1-2-6-15-9-10-16(18)17(13-15)19-12-11-14-7-4-3-5-8-14/h2-5,7-10,13,18H,1,6,11-12H2
InChIKey
DMVYEJJSXWUKHR-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)OCCc1ccccc1)O
Isomeric Smiles
Oc1ccc(CC=C)cc1OCCc1ccccc1
Calculated Properties
JChem
Acid pKa
9.926341
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.623698
LogD (pH = 7.4)
4.622432
Log P
4.6237144
Molar Refractivity
78.157
Polarizability
30.123049
Polar Surface Area
29.46
Rotatable Bonds
6
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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