Molecule

ID:86179

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈O
Molecular Mass
226.31352
Exact Mass
226.1357652
Charge
0
InChI
InChI=1S/C16H18O/c1-10(2)13-6-5-11(3)16-14(9-17)7-12(4)15(16)8-13/h5-10H,1-4H3
InChIKey
CDVRGGMPPUFSFH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(c2c1c(C)ccc(c2)C(C)C)C
Isomeric Smiles
O=Cc1cc(c2c1c(ccc(c2)C(C)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.947077
LogD (pH = 7.4)
4.947077
Log P
4.947077
Molar Refractivity
73.3654
Polarizability
28.811052
Polar Surface Area
17.07
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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