Molecule

ID:23659

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₂O₄
Molecular Mass
326.77536
Exact Mass
326.10333478
Charge
0
InChI
InChI=1S/C15H19ClN2O4/c1-2-4-13(19)17-10-7-8-11(16)12(9-10)18-14(20)5-3-6-15(21)22/h7-9H,2-6H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKey
ITOLKVYYFCMDEY-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1ccc(c(c1)NC(=O)CCCC(=O)O)Cl
Isomeric Smiles
c1(NC(=O)CCCC(=O)O)cc(NC(=O)CCC)ccc1Cl
Calculated Properties
JChem
Acid pKa
3.7389605
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.70608276
LogD (pH = 7.4)
-0.8221105
Log P
2.4672472
Molar Refractivity
85.311
Polarizability
31.78229
Polar Surface Area
95.5
Rotatable Bonds
8
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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