Molecule

ID:62597

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClN₃O₂
Molecular Mass
325.83366
Exact Mass
325.1557047
Charge
0
InChI
InChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)20-11-5-4-6-13(20)9-7-12-8-10-14(17)19-18-12/h8,10,13H,4-7,9,11H2,1-3H3
InChIKey
OWUUTBYQYASHSE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1CCc1ccc(nn1)Cl)OC(C)(C)C
Isomeric Smiles
C(=O)(N1C(CCc2nnc(Cl)cc2)CCCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9588444
LogD (pH = 7.4)
2.958846
Log P
2.9588463
Molar Refractivity
88.618
Polarizability
33.791866
Polar Surface Area
55.32
Rotatable Bonds
5
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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