Molecule

ID:33532

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₃O₃
Molecular Mass
309.74814
Exact Mass
309.08801907
Charge
0
InChI
InChI=1S/C14H16ClN3O3/c1-3-6-16-14(19)9-4-5-11(20-2)10(7-9)13-17-12(8-15)21-18-13/h4-5,7H,3,6,8H2,1-2H3,(H,16,19)
InChIKey
OOFNPENQAWOMGW-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1ccc(c(c1)c1noc(n1)CCl)OC
Isomeric Smiles
c1(nc(on1)CCl)c1cc(C(=O)NCCC)ccc1OC
Calculated Properties
JChem
Acid pKa
14.895218
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5943277
LogD (pH = 7.4)
2.5943282
Log P
2.5943282
Molar Refractivity
90.99
Polarizability
30.327143
Polar Surface Area
77.25
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
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Molecule Details
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References
Bioactivity
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