Molecule

ID:136228

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₆O
Molecular Mass
389.63150451
Exact Mass
389.36493061
Charge
0
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1+1,2+1,18+1
InChIKey
HVYWMOMLDIMFJA-GOJYHJQNSA-N
Canonic Smiles
[13CH3][13CH](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)[13CH3]
Isomeric Smiles
C[C@H](CCC[13CH]([13CH3])[13CH3])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC=C2[C@@]1(CC[C@@H](C2)O)C)C
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.112889
LogD (pH = 7.4)
7.112889
Log P
7.112889
Molar Refractivity
120.6165
Polarizability
47.977962
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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