Molecule

ID:11554

General Information
Structure
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-10H2,1H3
InChIKey
XJKFIBMPFSXMBD-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCN(CC1)CC
Isomeric Smiles
N1(CCN(CC1)CCCN)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.2712
LogD (pH = 7.4)
-4.0860004
Log P
-0.34292707
Molar Refractivity
53.602
Polarizability
21.17821
Polar Surface Area
32.5
Rotatable Bonds
4
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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