Molecule

ID:69627

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂
Molecular Mass
144.21298
Exact Mass
144.09390038
Charge
0
InChI
InChI=1S/C11H12/c1-3-5-11-8-6-10(4-2)7-9-11/h2,6-9H,3,5H2,1H3
InChIKey
UVFFOABHOIMLNB-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)C#C
Isomeric Smiles
C(#C)c1ccc(cc1)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.52664
LogD (pH = 7.4)
3.52664
Log P
3.52664
Molar Refractivity
45.4735
Polarizability
18.424265
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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