Molecule

ID:119356

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂
Molecular Mass
260.45738
Exact Mass
260.25040102
Charge
0
InChI
InChI=1S/C19H32/c1-15(2)9-7-10-16(3)12-13-18-17(4)11-8-14-19(18,5)6/h7,15H,8-9,11-14H2,1-6H3
InChIKey
XFSRTNQYXZYRGO-UHFFFAOYSA-N
Canonic Smiles
CC(CC=C=C(CCC1=C(C)CCCC1(C)C)C)C
Isomeric Smiles
C1(=C(CCCC1(C)C)C)CCC(=C=CCC(C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.4520717
LogD (pH = 7.4)
6.4520717
Log P
6.4520717
Molar Refractivity
88.1452
Polarizability
34.079517
Polar Surface Area
0.0
Rotatable Bonds
5
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
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References
Bioactivity
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