Molecule

ID:80626

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO₃
Molecular Mass
315.75096
Exact Mass
315.06622099
Charge
0
InChI
InChI=1S/C17H14ClNO3/c18-16(20)15-10-13-8-4-5-9-14(13)19(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey
HJMWBRLVJZGMKS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1Cc2c(N1C(=O)OCc1ccccc1)cccc2
Isomeric Smiles
N1(C(Cc2ccccc12)C(=O)Cl)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
19.263874
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6819441
LogD (pH = 7.4)
3.6819444
Log P
3.6819444
Molar Refractivity
83.2711
Polarizability
32.227303
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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