Molecule

ID:9837

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₂
Molecular Mass
250.29186
Exact Mass
250.09937969
Charge
0
InChI
InChI=1S/C17H14O2/c1-10(18)12-3-5-16-14(7-12)9-15-8-13(11(2)19)4-6-17(15)16/h3-8H,9H2,1-2H3
InChIKey
RIRYGERFWHUZBT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc2c(c1)Cc1c2ccc(c1)C(=O)C
Isomeric Smiles
c12c3c(Cc1cc(cc2)C(=O)C)cc(cc3)C(=O)C
Calculated Properties
JChem
Acid pKa
15.566062
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8543143
LogD (pH = 7.4)
2.8543143
Log P
2.8543143
Molar Refractivity
75.679
Polarizability
29.828074
Polar Surface Area
34.14
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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