Molecule

ID:23611

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇ClN₂O₄
Molecular Mass
360.79158
Exact Mass
360.08768471
Charge
0
InChI
InChI=1S/C18H17ClN2O4/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/h3-4,6-10H,2,5H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
DPVLXWUDYPHWNQ-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
2.9100287
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.1657361
LogD (pH = 7.4)
0.22469486
Log P
3.709573
Molar Refractivity
97.7434
Polarizability
35.75973
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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