Molecule

ID:117285

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄
Molecular Mass
166.22356
Exact Mass
166.12184647
Charge
0
InChI
InChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3
InChIKey
OYBUININCBHVPI-UHFFFAOYSA-N
Canonic Smiles
Cn1ccnc1N1CCNCC1
Isomeric Smiles
c1(n(ccn1)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5052736
LogD (pH = 7.4)
-1.2376429
Log P
0.33481735
Molar Refractivity
48.5668
Polarizability
18.2052
Polar Surface Area
33.09
Rotatable Bonds
1
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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