Molecule

ID:112305

General Information
Structure
MolImage
Molecular Formula
C₂₉H₅₀O
Molecular Mass
414.7067
Exact Mass
414.38616622
Charge
0
InChI
InChI=1S/C29H50O/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23?,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey
HVJCKZFYZWPQOO-XHXCSGAOSA-N
Canonic Smiles
CCOC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
Isomeric Smiles
CCOC1CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.1128235
LogD (pH = 7.4)
8.1128235
Log P
8.1128235
Molar Refractivity
130.1163
Polarizability
51.746323
Polar Surface Area
9.23
Rotatable Bonds
7
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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