Molecule

ID:71305

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c11-10-9(6-3-7-12-10)13-8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2,(H2,11,12)
InChIKey
IILMFGIHAQLZSE-UHFFFAOYSA-N
Canonic Smiles
Nc1ncccc1NC1CCCC1
Isomeric Smiles
c1(c(NC2CCCC2)cccn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.056471597
LogD (pH = 7.4)
1.14303
Log P
1.348585
Molar Refractivity
55.522
Polarizability
20.188347
Polar Surface Area
50.94
Rotatable Bonds
2
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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