Molecule
ID:119308
General Information
Molecular Formula
C₁₇H₁₆O₂
Molecular Mass
252.30774
Exact Mass
252.11502975
Charge
0
InChI
InChI=1S/C17H16O2/c1-11-8-9-14-15(13-6-4-3-5-7-13)10-16(18)19-17(14)12(11)2/h3-9,15H,10H2,1-2H3
InChIKey
OCOQOKDTOOUSDB-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(c2ccccc2)c2c(O1)c(C)c(cc2)C
Isomeric Smiles
c12c(C(CC(=O)O1)c1ccccc1)ccc(c2C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.333835
LogD (pH = 7.4)
4.333835
Log P
4.333835
Molar Refractivity
75.1813
Polarizability
28.99944
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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