Molecule

ID:110366

General Information
Structure
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Molecular Formula
C₇H₁₄
Molecular Mass
98.18606
Exact Mass
98.10955045
Charge
0
InChI
InChI=1S/C7H14/c1-4-7(5-2)6-3/h4,7H,1,5-6H2,2-3H3
InChIKey
YPVPQMCSLFDIKA-UHFFFAOYSA-N
Canonic Smiles
CCC(C=C)CC
Isomeric Smiles
CCC(CC)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1141691
LogD (pH = 7.4)
3.1141691
Log P
3.1141691
Molar Refractivity
34.0009
Polarizability
13.44952
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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