Molecule

ID:90498

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₄
Molecular Mass
128.17558
Exact Mass
128.1061964
Charge
0
InChI
InChI=1S/C5H12N4/c6-5(7)9-3-1-8-2-4-9/h8H,1-4H2,(H3,6,7)
InChIKey
ZTWBXCGKRKUYSY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCNCC1
Isomeric Smiles
N1CCN(CC1)C(=N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.78714
LogD (pH = 7.4)
-4.104696
Log P
-1.233182
Molar Refractivity
46.6835
Polarizability
13.744519
Polar Surface Area
65.14
Rotatable Bonds
0
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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