Molecule

ID:45129

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅ClN₂O₄
Molecular Mass
358.7757
Exact Mass
358.07203465
Charge
0
InChI
InChI=1S/C18H15ClN2O4/c1-2-25-18(24)14-15(22)13-8-12(19)9-20-16(13)21(17(14)23)10-11-6-4-3-5-7-11/h3-9,22H,2,10H2,1H3
InChIKey
JMLOKZZQNYIHNU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2cc(Cl)cnc2n(c1=O)Cc1ccccc1
Isomeric Smiles
n1(c(=O)c(c(c2c1ncc(c2)Cl)O)C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.305729
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5247675
LogD (pH = 7.4)
0.09484683
Log P
2.7362428
Molar Refractivity
93.4534
Polarizability
35.52524
Polar Surface Area
79.73
Rotatable Bonds
5
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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