Molecule

ID:41838

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄
Molecular Mass
166.22356
Exact Mass
166.12184647
Charge
0
InChI
InChI=1S/C8H14N4/c1-11-4-6-12(7-5-11)8(10)2-3-9/h2H,4-7,10H2,1H3/b8-2+
InChIKey
GVRAOYISBLEJMN-KRXBUXKQSA-N
Canonic Smiles
CN1CCN(CC1)/C(=C/C#N)/N
Isomeric Smiles
C(=C\C#N)(/N1CCN(CC1)C)\N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6138012
LogD (pH = 7.4)
-0.85197026
Log P
-0.16638198
Molar Refractivity
58.9613
Polarizability
18.136908
Polar Surface Area
56.29
Rotatable Bonds
1
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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