Molecule

ID:108558

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₀O₂
Molecular Mass
442.7168
Exact Mass
442.38108084
Charge
0
InChI
InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21?,23-,24?,25+,26-,27-,29?,30?/m0/s1
InChIKey
CCORPVHYPHHRKB-AOZQTVIPSA-N
Canonic Smiles
CCC(=O)O[C@H]1CCC2(C(=CCC3[C@@H]2CCC2([C@H]3CC[C@@H]2C(CCCC(C)C)C)C)C1)C
Isomeric Smiles
CCC(=O)O[C@H]1CCC2(C)[C@H]3CCC4(C)[C@H](CC[C@H]4C3CC=C2C1)C(C)CCCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.25455
LogD (pH = 7.4)
8.25455
Log P
8.25455
Molar Refractivity
134.3949
Polarizability
53.625614
Polar Surface Area
26.3
Rotatable Bonds
8
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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