Molecule

ID:22362

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-15(2)11-5-3-10(4-6-11)12-9-13-7-8-14-12/h3-6,12-14H,7-9H2,1-2H3
InChIKey
ZGRWHFVHAULXAQ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C1NCCNC1)C
Isomeric Smiles
N(c1ccc(cc1)C1NCCNC1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.050812
LogD (pH = 7.4)
-0.5818939
Log P
1.1634772
Molar Refractivity
64.1602
Polarizability
24.866076
Polar Surface Area
27.3
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
No Data Available
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Molecule Details
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References
Bioactivity
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