Molecule

ID:18189

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-10H2,1H3
InChIKey
NXKRSMDVDRFSBV-UHFFFAOYSA-N
Canonic Smiles
NCCCCN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)CCCCN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.449468
LogD (pH = 7.4)
-4.475456
Log P
-0.18237236
Molar Refractivity
53.498
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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