Molecule

ID:65760

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₄O₄
Molecular Mass
324.37546
Exact Mass
324.17975527
Charge
0
InChI
InChI=1S/C15H24N4O4/c1-9-17-10(16)8-11(18-9)19(12(20)22-14(2,3)4)13(21)23-15(5,6)7/h8H,1-7H3,(H2,16,17,18)
InChIKey
ZVNGOQZUIDSNRF-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1cc(N)nc(n1)C)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
c1(cc(nc(n1)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
3.0150938
LogD (pH = 7.4)
3.016088
Log P
3.0161006
Molar Refractivity
86.1806
Polarizability
32.58833
Polar Surface Area
107.64
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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