Molecule

ID:33381

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3
InChIKey
GHMGCKSGDXYVEE-UHFFFAOYSA-N
Canonic Smiles
NCCC(N1CCN(CC1)C)C
Isomeric Smiles
N1(CCN(CC1)C)C(CCN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0351987
LogD (pH = 7.4)
-3.8227606
Log P
-0.28316
Molar Refractivity
53.2722
Polarizability
21.17821
Polar Surface Area
32.5
Rotatable Bonds
3
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
References
Bioactivity
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