Molecule

ID:27545

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇Cl₂NO₃
Molecular Mass
366.23848
Exact Mass
365.05854877
Charge
0
InChI
InChI=1S/C18H17Cl2NO3/c1-12(22)13-4-7-15(8-5-13)21-18(23)3-2-10-24-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKey
QONAMHQEEVYIEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)C)CCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCCC(=O)Nc1ccc(C(=O)C)cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
13.647831
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0192704
LogD (pH = 7.4)
4.0192704
Log P
4.0192704
Molar Refractivity
96.3499
Polarizability
36.682438
Polar Surface Area
55.4
Rotatable Bonds
7
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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