Molecule

ID:129103

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₄O
Molecular Mass
384.63766
Exact Mass
384.33921603
Charge
0
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26?,27-/m1/s1
InChIKey
YUGCAAVRZWBXEQ-QEYGBBHESA-N
Canonic Smiles
CC(CCC[C@H]([C@H]1CCC2[C@]1(C)CCC=C2/C=C\C1=C(C)CC[C@@H](C1)O)C)C
Isomeric Smiles
CC1=C(C[C@H](CC1)O)/C=C\C1=CCC[C@]2(C1CC[C@@H]2[C@H](C)CCCC(C)C)C
Calculated Properties
JChem
Acid pKa
18.314426
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.067527
LogD (pH = 7.4)
7.0675273
Log P
7.0675273
Molar Refractivity
124.297
Polarizability
48.251457
Polar Surface Area
20.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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