Molecule

ID:129285

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₄
Molecular Mass
280.3675
Exact Mass
280.16879666
Charge
0
InChI
InChI=1S/C17H20N4/c1-13-19-11-16(17(18)20-13)12-21-9-7-15(8-10-21)14-5-3-2-4-6-14/h2-7,11H,8-10,12H2,1H3,(H2,18,19,20)
InChIKey
KABDATZAOUSYES-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(c(n1)N)CN1CCC(=CC1)c1ccccc1
Isomeric Smiles
c1ccccc1C1=CCN(CC1)Cc1cnc(C)nc1N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7211571
LogD (pH = 7.4)
2.3478048
Log P
2.6444812
Molar Refractivity
88.3849
Polarizability
32.73058
Polar Surface Area
55.04
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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