Molecule

ID:131758

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₃
Molecular Mass
304.42382
Exact Mass
304.20384476
Charge
0
InChI
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13?,14?,16-,17+,18-,19+/m1/s1
InChIKey
XSEGWEUVSZRCBC-LYHOAZQISA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)[C@H](O)CC1C2CC[C@]2(C1CC[C@@H]2O)C)C
Isomeric Smiles
C[C@]12CCC3C(C1CC[C@@H]2O)C[C@H](C1=CC(=O)CC[C@]31C)O
Calculated Properties
JChem
Acid pKa
14.545773
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.134612
LogD (pH = 7.4)
2.134612
Log P
2.1346123
Molar Refractivity
85.9453
Polarizability
33.878315
Polar Surface Area
57.53
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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