Molecule

ID:18672

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-3-9(10)8-12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3
InChIKey
NBCYAZLIOUSHBB-UHFFFAOYSA-N
Canonic Smiles
CCC(CN1CCN(CC1)C)N
Isomeric Smiles
N1(CC(N)CC)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.306523
LogD (pH = 7.4)
-2.7399852
Log P
0.17940265
Molar Refractivity
52.9308
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
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References
Bioactivity
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