Molecule

ID:59763

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₃
Molecular Mass
246.30162
Exact Mass
246.12559444
Charge
0
InChI
InChI=1S/C15H18O3/c1-10-3-2-6-15(8-10)9-13(17)12-5-4-11(16)7-14(12)18-15/h4-5,7,10,16H,2-3,6,8-9H2,1H3/t10?,15-/m1/s1
InChIKey
DSODKSULHXYBLA-GENIYJEYSA-N
Canonic Smiles
CC1CCC[C@@]2(C1)CC(=O)c1c(O2)cc(cc1)O
Isomeric Smiles
c12c(C(=O)C[C@]3(O1)CC(CCC3)C)ccc(c2)O
Calculated Properties
JChem
Acid pKa
7.7999344
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0159004
LogD (pH = 7.4)
2.8736937
Log P
3.0180569
Molar Refractivity
68.4976
Polarizability
26.777376
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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