Molecule

ID:101320

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-13-10-11-5-6-14-12(9-11)15-7-3-2-4-8-15/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKey
CPEUGLUNQVAGDV-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccnc(c1)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)nccc(c1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3043917
LogD (pH = 7.4)
-0.101843655
Log P
1.8667897
Molar Refractivity
64.0332
Polarizability
24.264168
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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