Molecule

ID:61332

General Information
Structure
Molecular Formula
C₁₆H₁₂O₄
Molecular Mass
268.26408
Exact Mass
268.07355886
Charge
0
InChI
InChI=1S/C16H12O4/c1-19-12-4-2-3-10(7-12)8-15-16(18)13-6-5-11(17)9-14(13)20-15/h2-9,17H,1H3/b15-8-
InChIKey
XWRCMPMRAXNWBC-NVNXTCNLSA-N
Canonic Smiles
COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)O
Isomeric Smiles
C\1(=C\c2cc(OC)ccc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524086
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7380126
LogD (pH = 7.4)
2.5498464
Log P
2.7410378
Molar Refractivity
75.4904
Polarizability
28.391376
Polar Surface Area
55.76
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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