Molecule

ID:14216

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-15-8-4-12(5-9-15)14-10-11-2-6-13-7-3-11/h2-3,6-7,12,14H,4-5,8-10H2,1H3
InChIKey
KBQJZXOYBNRYDN-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1ccncc1
Isomeric Smiles
C1(NCc2ccncc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.750108
LogD (pH = 7.4)
-2.2871106
Log P
0.34072834
Molar Refractivity
62.6002
Polarizability
24.662876
Polar Surface Area
28.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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