Molecule

ID:64889

General Information
Structure
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-8-5-10(6-9-18)11-4-7-16-12(15)17-11/h4,7,10H,5-6,8-9H2,1-3H3
InChIKey
QLZAPBRELYGZIY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)c1ccnc(n1)Cl)OC(C)(C)C
Isomeric Smiles
c1(nccc(n1)C1CCN(CC1)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4764268
LogD (pH = 7.4)
2.4764268
Log P
2.4764268
Molar Refractivity
78.2391
Polarizability
30.167515
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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