Molecule

ID:57933

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₄
Molecular Mass
324.33064
Exact Mass
324.111007
Charge
0
InChI
InChI=1S/C18H16N2O4/c21-16-10-13(11-20(16)15-4-2-1-3-5-15)17(22)19-14-8-6-12(7-9-14)18(23)24/h1-9,13H,10-11H2,(H,19,22)(H,23,24)
InChIKey
MCLYUBBOZKFRFQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC(=O)N(C1)c1ccccc1)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
N1(C(=O)CC(C(=O)Nc2ccc(C(=O)O)cc2)C1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.159804
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.41576347
LogD (pH = 7.4)
-1.2878376
Log P
1.772562
Molar Refractivity
88.5516
Polarizability
33.144398
Polar Surface Area
86.71
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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