Molecule

ID:19060

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h4-7,9,12H,1-3,8H2
InChIKey
QYKABQMBXCBINA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC1CCCCO1
Isomeric Smiles
C1(OCCCC1)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4286442
LogD (pH = 7.4)
2.4286442
Log P
2.4286442
Molar Refractivity
57.1387
Polarizability
22.06967
Polar Surface Area
35.53
Rotatable Bonds
3
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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