Molecule

ID:102509

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂O₂
Molecular Mass
270.36608
Exact Mass
270.16197994
Charge
0
InChI
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKey
PBBGSZCBWVPOOL-UHFFFAOYSA-N
Canonic Smiles
CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O
Isomeric Smiles
CCC(C(CC)c1ccc(O)cc1)c1ccc(O)cc1
Calculated Properties
JChem
Acid pKa
9.926587
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3656373
LogD (pH = 7.4)
5.36437
Log P
5.3656535
Molar Refractivity
82.6572
Polarizability
32.048504
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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