Molecule

ID:112175

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀
Molecular Mass
188.3086
Exact Mass
188.15650064
Charge
0
InChI
InChI=1S/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3
InChIKey
NNXHDILUOAXSPU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C(C)(C)CC2(C)C
Isomeric Smiles
Cc1ccc2c(c1)C(C)(C)CC2(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.668485
LogD (pH = 7.4)
4.668485
Log P
4.668485
Molar Refractivity
62.027798
Polarizability
24.171648
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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