Molecule

ID:16727

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(10)12(11-7)8-4-2-3-5-8/h6,8H,2-5,10H2,1H3
InChIKey
MNOPOOFSVGTODG-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nn1C1CCCC1)C
Isomeric Smiles
n1(C2CCCC2)nc(cc1N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1216117
LogD (pH = 7.4)
1.1472067
Log P
1.147543
Molar Refractivity
59.9198
Polarizability
18.42818
Polar Surface Area
43.84
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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