Molecule

ID:126861

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₄
Molecular Mass
414.74976
Exact Mass
414.42255173
Charge
0
InChI
InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h21-26H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,28+,29-,30-/m1/s1
InChIKey
OORMXZNMRWBSTK-LGFJJATJSA-N
Canonic Smiles
CC(CCC[C@H]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)C)C)C
Isomeric Smiles
C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@]2(CC[C@@H]2[C@@]1(CCCC2(C)C)C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
9.79
LogD (pH = 5.5)
9.79
Log P
9.79
Rotatable Bonds
5
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
54.92
Molar Refractivity
131.60
LOG S
-12.59
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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