Molecule

ID:44752

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₄O₂
Molecular Mass
328.40876
Exact Mass
328.18992603
Charge
0
InChI
InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-14(12-19)6-7-15(20-16)13-4-5-13/h6-7,13H,4-5,8-11H2,1-3H3
InChIKey
KXHIRDUGFMXLKB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1N1CCN(CC1)C(=O)OC(C)(C)C)C1CC1
Isomeric Smiles
c1cc(nc(c1C#N)N1CCN(CC1)C(=O)OC(C)(C)C)C1CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.970857
LogD (pH = 7.4)
2.97258
Log P
2.9726021
Molar Refractivity
92.106
Polarizability
34.880795
Polar Surface Area
69.46
Rotatable Bonds
4
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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