Molecule

ID:35144

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₄
Molecular Mass
271.26802
Exact Mass
271.0844579
Charge
0
InChI
InChI=1S/C15H13NO4/c17-13-11-6-1-2-7-12(11)14(18)16(13)10-5-3-4-9(8-10)15(19)20/h1-5,8,11-12H,6-7H2,(H,19,20)
InChIKey
ACDDAJZIJAAEON-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1CC=CC2
Isomeric Smiles
N1(C(=O)C2C(C1=O)CC=CC2)c1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.8930302
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.0827921
LogD (pH = 7.4)
-1.5219711
Log P
1.6952082
Molar Refractivity
71.8773
Polarizability
26.99461
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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