Molecule

ID:41147

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8,11H2,1H3
InChIKey
IFHQJBQZOLOOHW-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ncccc1N
Isomeric Smiles
N1(c2ncccc2N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8579178
LogD (pH = 7.4)
0.12507592
Log P
0.4762684
Molar Refractivity
59.3937
Polarizability
21.714054
Polar Surface Area
45.39
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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