Molecule

ID:23681

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃ClN₂O₄
Molecular Mass
366.83922
Exact Mass
366.13463491
Charge
0
InChI
InChI=1S/C18H23ClN2O4/c1-2-5-16(22)20-11-8-9-14(19)15(10-11)21-17(23)12-6-3-4-7-13(12)18(24)25/h8-10,12-13H,2-7H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
ONOZRHXVKGSYJW-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1ccc(c(c1)NC(=O)C1CCCCC1C(=O)O)Cl
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CCC)ccc1Cl)C1C(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
4.0141487
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.03816
LogD (pH = 7.4)
0.3831605
Log P
3.5340624
Molar Refractivity
97.2588
Polarizability
36.55507
Polar Surface Area
95.5
Rotatable Bonds
6
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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