Molecule

ID:111968

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c17-7-5-16(6-8-18)15(20)13-9-11-3-1-2-4-12(11)10-14(13)19/h1-4,9-10,17-19H,5-8H2
InChIKey
AWOGQGYSUKXISO-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1cc2ccccc2cc1O)CCO
Isomeric Smiles
OCCN(CCO)C(=O)c1cc2c(cccc2)cc1O
Calculated Properties
JChem
Acid pKa
7.9455
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.225403
LogD (pH = 7.4)
1.1190397
Log P
1.2269456
Molar Refractivity
75.9455
Polarizability
29.870058
Polar Surface Area
81.0
Rotatable Bonds
5
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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