Molecule

ID:92863

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-9-7-12-8-10(13-9)14-5-2-3-11-4-6-14/h7-8,11H,2-6H2,1H3
InChIKey
KEQNXEGORWZCQK-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(n1)N1CCNCCC1
Isomeric Smiles
n1c(cncc1C)N1CCCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2837293
LogD (pH = 7.4)
-2.2252135
Log P
-0.1041961
Molar Refractivity
56.6986
Polarizability
21.443544
Polar Surface Area
41.05
Rotatable Bonds
1
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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