Molecule

ID:24293

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,4,6,8,10H2
InChIKey
IFZYTBAJJNWAKE-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1cccnc1
Isomeric Smiles
n1cc(CNCCCN)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.063442
LogD (pH = 7.4)
-3.9230535
Log P
-0.42310184
Molar Refractivity
49.9643
Polarizability
19.863441
Polar Surface Area
50.94
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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