Molecule

ID:55889

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₄O₄
Molecular Mass
360.40756
Exact Mass
360.17975527
Charge
0
InChI
InChI=1S/C18H24N4O4/c1-20-14-6-9-22(16(23)11-2-3-11)10-13(14)15(19-20)17(24)21-7-4-12(5-8-21)18(25)26/h11-12H,2-10H2,1H3,(H,25,26)
InChIKey
JQDQADZRDNSNDI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)C(=O)c1nn(c2c1CN(CC2)C(=O)C1CC1)C
Isomeric Smiles
C1CN(Cc2c1n(nc2C(=O)N1CCC(CC1)C(=O)O)C)C(=O)C1CC1
Calculated Properties
JChem
Acid pKa
3.6138487
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.0447762
LogD (pH = 7.4)
-3.5008636
Log P
-0.16266523
Molar Refractivity
105.3537
Polarizability
35.331966
Polar Surface Area
95.74
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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