Molecule

ID:128363

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂
Molecular Mass
96.17018
Exact Mass
96.09390038
Charge
0
InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey
YULMNMJFAZWLLN-UHFFFAOYSA-N
Canonic Smiles
C=C1CCCCC1
Isomeric Smiles
C=C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6067853
LogD (pH = 7.4)
2.6067853
Log P
2.6067853
Molar Refractivity
31.9321
Polarizability
12.70021
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
References
Bioactivity
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