Molecule

ID:15635

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃
Molecular Mass
271.4005
Exact Mass
271.20484782
Charge
0
InChI
InChI=1S/C17H25N3/c1-3-20-10-6-8-15(20)12-18-13-16-11-14-7-4-5-9-17(14)19(16)2/h4-5,7,9,11,15,18H,3,6,8,10,12-13H2,1-2H3
InChIKey
ZZKBQLPSJLJFEL-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1cc2c(n1C)cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CNCC1CCCN1CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9724739
LogD (pH = 7.4)
0.47223616
Log P
2.6150508
Molar Refractivity
85.1456
Polarizability
34.45647
Polar Surface Area
20.2
Rotatable Bonds
5
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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