Molecule

ID:41104

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h2-5,8-11H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKey
DCJSHKQYJZNXTJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)C1CC=CCC1C(=O)O
Isomeric Smiles
C(=O)(Nc1c(OC)cccc1)C1C(C(=O)O)CC=CC1
Calculated Properties
JChem
Acid pKa
4.126311
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.63895243
LogD (pH = 7.4)
-1.05461
Log P
2.02761
Molar Refractivity
75.9429
Polarizability
28.343071
Polar Surface Area
75.63
Rotatable Bonds
4
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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