Molecule

ID:32983

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClN₃O₃
Molecular Mass
341.83306
Exact Mass
341.15061932
Charge
0
InChI
InChI=1S/C16H24ClN3O3/c1-15(2,3)13(21)20-11-8-7-10(19-12(11)17)9-18-14(22)23-16(4,5)6/h7-8H,9H2,1-6H3,(H,18,22)(H,20,21)
InChIKey
FNXWDMLQFVZMRQ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1ccc(c(n1)Cl)NC(=O)C(C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.614355
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3163788
LogD (pH = 7.4)
3.3163545
Log P
3.3163798
Molar Refractivity
91.1568
Polarizability
34.776833
Polar Surface Area
80.32
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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