Molecule

ID:69811

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆
Molecular Mass
184.27684
Exact Mass
184.12520051
Charge
0
InChI
InChI=1S/C14H16/c1-9-8-12-13(14(12,2)3)11-7-5-4-6-10(9)11/h4-8,10,12H,1-3H3
InChIKey
XWHGNPZNXHDISW-UHFFFAOYSA-N
Canonic Smiles
CC1=CC2C(=C3C1C=CC=C3)C2(C)C
Isomeric Smiles
C12C=C(C3C(=C1C2(C)C)C=CC=C3)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6280305
LogD (pH = 7.4)
2.6280305
Log P
2.6280305
Molar Refractivity
64.0359
Polarizability
23.448837
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
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Molecule Details
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References
Bioactivity
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