Molecule

ID:25832

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-12-5-4-6-13(2)17(12)20-11-15-9-14(10-18)7-8-16(15)19-3/h4-10H,11H2,1-3H3
InChIKey
CPXYVPDEEYJVDE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1c(C)cccc1C)C=O
Isomeric Smiles
c1(COc2c(cccc2C)C)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1217217
LogD (pH = 7.4)
4.1217217
Log P
4.1217217
Molar Refractivity
80.2634
Polarizability
30.377577
Polar Surface Area
35.53
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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