Molecule
ID:3297
General Information
Molecular Formula
C₈H₂₂N₄
Molecular Mass
174.28708
Exact Mass
174.18444672
Charge
0
InChI
InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2
InChIKey
SKGAVCHIFDRDTK-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCNC(N)N
Isomeric Smiles
NCCCCCCCNC(N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.2654157
LogD (pH = 7.4)
-2.6495318
Log P
0.04004167
Molar Refractivity
52.0947
Polarizability
21.591837
Polar Surface Area
90.09
Rotatable Bonds
8
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.44
LOG S
-0.86
Solubility (Water)
2.41e+01 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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