Molecule

ID:115953

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₄
Molecular Mass
292.3782
Exact Mass
292.16879666
Charge
0
InChI
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
InChIKey
PWWDCRQZITYKDV-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)Cc1ccccc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1125174
LogD (pH = 7.4)
2.0115988
Log P
3.4640186
Molar Refractivity
89.1351
Polarizability
35.36526
Polar Surface Area
33.09
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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