Molecule

ID:34547

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-5-13-8-11-15(9-1)10-4-12-2-6-14-7-3-12/h2-3,6-7,13H,1,4-5,8-11H2
InChIKey
RBIHGLXGQQWYEA-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)CCc1ccncc1
Isomeric Smiles
C1CN(CCCN1)CCc1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3192024
LogD (pH = 7.4)
-2.236507
Log P
0.50966275
Molar Refractivity
62.8196
Polarizability
24.58542
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
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Molecule Details
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References
Bioactivity
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