Molecule

ID:125497

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
WGOUYULOZZRTFS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c2c(c1)occ(c2=O)c1ccccc1
Isomeric Smiles
O=c1c2c(occ1c1ccccc1)cc(OC)cc2C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6933184
LogD (pH = 7.4)
3.6933184
Log P
3.6933184
Molar Refractivity
77.2446
Polarizability
29.551188
Polar Surface Area
35.53
Rotatable Bonds
2
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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