Molecule

ID:62918

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H20ClN3O2/c1-9-16-11(7-12(15)17-9)10-5-6-18(8-10)13(19)20-14(2,3)4/h7,10H,5-6,8H2,1-4H3
InChIKey
CAHIMTBBKKCABC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(C1)c1cc(Cl)nc(n1)C)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(c2nc(nc(c2)Cl)C)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.598432
LogD (pH = 7.4)
2.598524
Log P
2.5985253
Molar Refractivity
78.476
Polarizability
30.033384
Polar Surface Area
55.32
Rotatable Bonds
3
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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