Molecule

ID:89505

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14)4-6-13/h3-6H,2,7-11,14H2,1H3
InChIKey
GUSNDANPCWHFBH-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(CCN(c2ccc(cc2)N)CC1)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3153634
LogD (pH = 7.4)
0.7464948
Log P
1.9788136
Molar Refractivity
70.5097
Polarizability
26.316702
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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