Molecule

ID:62665

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄O
Molecular Mass
236.3134
Exact Mass
236.16371128
Charge
0
InChI
InChI=1S/C12H20N4O/c1-15(2)12(17)10-8-14-16(9-10)11-4-3-6-13-7-5-11/h8-9,11,13H,3-7H2,1-2H3
InChIKey
DJOJNWKIWIFLAV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cnn(c1)C1CCNCCC1)N(C)C
Isomeric Smiles
c1(cn(nc1)C1CCNCCC1)C(=O)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.373946
LogD (pH = 7.4)
-2.992453
Log P
-0.13978083
Molar Refractivity
78.6342
Polarizability
25.432169
Polar Surface Area
50.16
Rotatable Bonds
2
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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