Molecule

ID:125506

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O
Molecular Mass
272.42502
Exact Mass
272.21401552
Charge
0
InChI
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13?,14-,15-,16-,18-,19-/m0/s1
InChIKey
ISJVDMWNISUFRJ-HQEMIIEJSA-N
Canonic Smiles
O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC=CC2
Isomeric Smiles
C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
Calculated Properties
JChem
Acid pKa
19.961718
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7920814
LogD (pH = 7.4)
4.7920814
Log P
4.7920814
Molar Refractivity
83.256
Polarizability
32.6592
Polar Surface Area
17.07
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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