Molecule

ID:85250

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₄
Molecular Mass
140.18628
Exact Mass
140.1061964
Charge
0
InChI
InChI=1S/C6H12N4/c7-6(8)10-9-5-3-1-2-4-5/h1-4H2,(H4,7,8,10)
InChIKey
HXOMZQCDDKGTHN-UHFFFAOYSA-N
Canonic Smiles
NC(=NN=C1CCCC1)N
Isomeric Smiles
N(=C(N)N)N=C1CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1208086
LogD (pH = 7.4)
-1.3005407
Log P
-0.13711295
Molar Refractivity
39.5474
Polarizability
14.7911415
Polar Surface Area
76.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
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