Molecule

ID:12565

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃
Molecular Mass
243.34734
Exact Mass
243.17354769
Charge
0
InChI
InChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKey
UQKKSTITHUVMOF-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CNC2CCCCC2)nc2c1cccc2
Isomeric Smiles
c1cc2c(cc1)nc(n2C)CNC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0058803754
LogD (pH = 7.4)
1.5971608
Log P
2.913966
Molar Refractivity
73.4544
Polarizability
30.16064
Polar Surface Area
29.85
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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