Molecule

ID:2754

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄
Molecular Mass
274.48396
Exact Mass
274.26605109
Charge
0
InChI
InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+
InChIKey
HSOYJGBJQAKCNA-CAIKYXSQSA-N
Canonic Smiles
C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
Isomeric Smiles
C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.102583
LogD (pH = 7.4)
7.102583
Log P
7.102583
Molar Refractivity
97.0126
Polarizability
36.77575
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
7.18
LOG S
-4.97
Solubility (Water)
2.97e-03 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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