Molecule

ID:112432

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈
Molecular Mass
232.40422
Exact Mass
232.2191009
Charge
0
InChI
InChI=1S/C17H28/c1-5-6-7-8-10-15(4)17-12-9-11-16(13-17)14(2)3/h9,11-15H,5-8,10H2,1-4H3
InChIKey
WELZMSLPXQTKHT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(c1cccc(c1)C(C)C)C
Isomeric Smiles
CCCCCCC(C)c1cccc(c1)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.6861076
LogD (pH = 7.4)
6.6861076
Log P
6.6861076
Molar Refractivity
77.4446
Polarizability
30.54415
Polar Surface Area
0.0
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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