Molecule

ID:107571

General Information
Structure
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Molecular Formula
C₇H₁₂
Molecular Mass
96.17018
Exact Mass
96.09390038
Charge
0
InChI
InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
InChIKey
ZXIJMRYMVAMXQP-UHFFFAOYSA-N
Canonic Smiles
C1CCC=CCC1
Isomeric Smiles
C1CCC=CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.750059
LogD (pH = 7.4)
2.750059
Log P
2.750059
Molar Refractivity
33.3236
Polarizability
12.70021
Polar Surface Area
0.0
Rotatable Bonds
0
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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