Molecule

ID:111861

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂
Molecular Mass
144.21298
Exact Mass
144.09390038
Charge
0
InChI
InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3H2,1H3
InChIKey
DEGIOKWPYFOHGH-UHFFFAOYSA-N
Canonic Smiles
CCCC#Cc1ccccc1
Isomeric Smiles
CCCC#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8496485
LogD (pH = 7.4)
3.8496485
Log P
3.8496485
Molar Refractivity
45.9331
Polarizability
18.508266
Polar Surface Area
0.0
Rotatable Bonds
3
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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