Molecule

ID:37933

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c1-7-6-9(11-12(7)2)8-4-3-5-10-8/h6,8,10H,3-5H2,1-2H3
InChIKey
CVYNRTWNQATPEI-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C)C1CCCN1
Isomeric Smiles
n1c(cc(n1C)C)C1NCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2801294
LogD (pH = 7.4)
-1.0383028
Log P
0.8582417
Molar Refractivity
60.1232
Polarizability
18.81861
Polar Surface Area
29.85
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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