Molecule

ID:31044

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄
Molecular Mass
194.27672
Exact Mass
194.1531466
Charge
0
InChI
InChI=1S/C10H18N4/c1-8-7-12-14(10(8)11)9-3-5-13(2)6-4-9/h7,9H,3-6,11H2,1-2H3
InChIKey
ZXGHLPMDSDKGPG-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)n1ncc(c1N)C
Isomeric Smiles
n1(c(c(cn1)C)N)C1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.893397
LogD (pH = 7.4)
-1.2193502
Log P
0.20169844
Molar Refractivity
69.4074
Polarizability
21.799269
Polar Surface Area
47.08
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
No Data Available
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Molecule Details
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References
Bioactivity
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