Molecule

ID:83589

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₃
Molecular Mass
313.73508
Exact Mass
313.05057093
Charge
0
InChI
InChI=1S/C17H12ClNO3/c18-10-14(20)19-15-16(21)12-8-4-5-9-13(12)22-17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey
CNQPCXHLPXNLSQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1c(oc2c(c1=O)cccc2)c1ccccc1
Isomeric Smiles
o1c(c(c(=O)c2ccccc12)NC(=O)CCl)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.253303
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4395702
LogD (pH = 7.4)
2.439565
Log P
2.4395702
Molar Refractivity
84.7931
Polarizability
31.987871
Polar Surface Area
55.4
Rotatable Bonds
3
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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