Molecule

ID:8533

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄
Molecular Mass
182.26096
Exact Mass
182.10955045
Charge
0
InChI
InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
SIYISNUJKMAQBV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1cccc(c1)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.578461
LogD (pH = 7.4)
4.578461
Log P
4.578461
Molar Refractivity
60.8364
Polarizability
23.573591
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
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Molecule Details
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References
Bioactivity
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