Molecule

ID:127697

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄O₂
Molecular Mass
252.3128
Exact Mass
252.1586259
Charge
0
InChI
InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKey
CAWXEEYDBZRFPE-UHFFFAOYSA-N
Canonic Smiles
O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C
Isomeric Smiles
O=c1n(C2CCCCC2)c(=O)n(c(n1)N(C)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3691201
LogD (pH = 7.4)
1.3691213
Log P
1.3691213
Molar Refractivity
67.5839
Polarizability
25.706768
Polar Surface Area
56.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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