Molecule

ID:115771

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClN₃O₃
Molecular Mass
327.80648
Exact Mass
327.13496926
Charge
0
InChI
InChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(20)19-8-6-11(7-9-19)10-21-13-5-4-12(16)17-18-13/h4-5,11H,6-10H2,1-3H3
InChIKey
XLGZWOOEWNQLJE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)COc1ccc(nn1)Cl)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(COc2nnc(Cl)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4243636
LogD (pH = 7.4)
2.4243636
Log P
2.4243636
Molar Refractivity
86.3767
Polarizability
32.673077
Polar Surface Area
64.55
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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