Molecule

ID:67032

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₅
Molecular Mass
193.2489
Exact Mass
193.13274551
Charge
0
InChI
InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)9-11-3-2-8(10)12-9/h2-3H,4-7H2,1H3,(H2,10,11,12)
InChIKey
KLIWECWTESIKAP-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1nccc(n1)N
Isomeric Smiles
c1(nc(ccn1)N)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.80278
LogD (pH = 7.4)
0.18554635
Log P
0.44921649
Molar Refractivity
58.1609
Polarizability
20.822506
Polar Surface Area
58.28
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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