Molecule

ID:79673

General Information
Structure
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Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3
InChIKey
KPADFPAILITQBG-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/CCC
Isomeric Smiles
CCCC/C=C/CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1029224
LogD (pH = 7.4)
4.1029224
Log P
4.1029224
Molar Refractivity
44.3278
Polarizability
17.142464
Polar Surface Area
0.0
Rotatable Bonds
5
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
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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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