Molecule

ID:1681

General Information
Structure
MolImage
Molecular Formula
C₂₇H₅₆
Molecular Mass
380.73354
Exact Mass
380.43820179
Charge
0
InChI
InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1
InChIKey
ZADHKSJXSZBQFB-HHHXNRCGSA-N
Canonic Smiles
C[C@@H](CCCCCCCC(C)C)CCCCCCCCCCCCC(C)C
Isomeric Smiles
CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.9944315
LogD (pH = 7.4)
11.9944315
Log P
11.9944315
Molar Refractivity
125.872
Polarizability
50.615788
Polar Surface Area
0.0
Rotatable Bonds
21
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
10.57
LOG S
-8.02
Solubility (Water)
3.67e-06 g/l
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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