Molecule

ID:72969

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₃
Molecular Mass
248.3175
Exact Mass
248.1412445
Charge
0
InChI
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
InChIKey
KTEXNACQROZXEV-QLIGOWBFSA-N
Canonic Smiles
CC1=CCC[C@@]2(C)O[C@@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2
Isomeric Smiles
C1C[C@@]2([C@@H]([C@@H]3[C@@H](CCC(=C1)C)C(=C)C(=O)O3)O2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0712926
LogD (pH = 7.4)
3.0712926
Log P
3.0712926
Molar Refractivity
68.5529
Polarizability
27.145802
Polar Surface Area
38.83
Rotatable Bonds
0
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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