Molecule

ID:89628

General Information
Structure
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-15-7-4-8-16(10-9-15)13-6-3-2-5-12(13)11-14/h2-3,5-6H,4,7-11,14H2,1H3
InChIKey
YLJBTEMLBKZLIT-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1N1CCCN(CC1)C
Isomeric Smiles
N1(c2c(cccc2)CN)CCN(CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.891615
LogD (pH = 7.4)
-1.9545707
Log P
1.1141374
Molar Refractivity
69.8755
Polarizability
26.713095
Polar Surface Area
32.5
Rotatable Bonds
2
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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