Molecule

ID:15208

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄
Molecular Mass
194.27672
Exact Mass
194.1531466
Charge
0
InChI
InChI=1S/C10H18N4/c1-8-7-10(11)14(12-8)9-3-5-13(2)6-4-9/h7,9H,3-6,11H2,1-2H3
InChIKey
NNBQKNVCHRPVFE-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)n1nc(cc1N)C
Isomeric Smiles
n1(C2CCN(CC2)C)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2698667
LogD (pH = 7.4)
-1.5753475
Log P
-0.18035278
Molar Refractivity
68.9577
Polarizability
21.796684
Polar Surface Area
47.08
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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