Molecule

ID:13987

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₄
Molecular Mass
312.31994
Exact Mass
312.111007
Charge
0
InChI
InChI=1S/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)
InChIKey
JKKNHOYMARTPDL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(o1)C
Isomeric Smiles
c12c(CC(NC(=O)c3oc(cc3)C)C(=O)O)c[nH]c1cccc2
Calculated Properties
JChem
Acid pKa
4.1816697
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.7731576
LogD (pH = 7.4)
-0.9366386
Log P
2.109206
Molar Refractivity
83.8577
Polarizability
32.635006
Polar Surface Area
95.33
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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