Molecule

ID:71509

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₇NO₄
Molecular Mass
347.36398
Exact Mass
347.11575803
Charge
0
InChI
InChI=1S/C21H17NO4/c1-10(21(25)26)22-19(23)17-15-11-6-2-3-7-12(11)16(18(17)20(22)24)14-9-5-4-8-13(14)15/h2-10,15-18H,1H3,(H,25,26)
InChIKey
ZUUCKMPPNWUMBR-UHFFFAOYSA-N
Canonic Smiles
CC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)O
Isomeric Smiles
c1ccc2C3C4C(=O)N(C(=O)C4C(c2c1)c1c3cccc1)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.7237275
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.63894176
LogD (pH = 7.4)
-0.88093346
Log P
2.4148245
Molar Refractivity
93.4688
Polarizability
36.104996
Polar Surface Area
74.68
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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