Molecule

ID:58487

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀
Molecular Mass
212.33
Exact Mass
212.15650064
Charge
0
InChI
InChI=1S/C16H20/c1-2-4-13(5-3-1)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2
InChIKey
MWQZYLIXDPNHFG-UHFFFAOYSA-N
Canonic Smiles
C1C2CC3C(C1CC(C2)C3)c1ccccc1
Isomeric Smiles
C1C2C(C3CC1CC(C3)C2)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.30886
LogD (pH = 7.4)
4.30886
Log P
4.30886
Molar Refractivity
66.8396
Polarizability
26.542574
Polar Surface Area
0.0
Rotatable Bonds
1
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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