Molecule

ID:121725

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄
Molecular Mass
178.23426
Exact Mass
178.12184647
Charge
0
InChI
InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-2-3-10-6-8-13/h1,4-5,10H,2-3,6-8H2
InChIKey
LZOGPVCTSDAYIP-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1ncccn1
Isomeric Smiles
c1(N2CCCNCC2)ncccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8120964
LogD (pH = 7.4)
-1.715578
Log P
0.36059672
Molar Refractivity
52.7177
Polarizability
19.681726
Polar Surface Area
41.05
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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