Molecule

ID:23693

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₅
Molecular Mass
316.30864
Exact Mass
316.10592162
Charge
0
InChI
InChI=1S/C16H16N2O5/c19-14(6-7-15(20)21)18-12-4-1-3-11(9-12)16(22)17-10-13-5-2-8-23-13/h1-5,8-9H,6-7,10H2,(H,17,22)(H,18,19)(H,20,21)
InChIKey
ZDLSWZSPPFVYCS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)Nc1cccc(c1)C(=O)NCc1ccco1
Isomeric Smiles
C(=O)(NCc1occc1)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.7224424
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.88227516
LogD (pH = 7.4)
-2.4014397
Log P
0.894855
Molar Refractivity
82.7929
Polarizability
30.631464
Polar Surface Area
108.64
Rotatable Bonds
7
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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