Molecule
ID:122509
General Information
Molecular Formula
C₁₄H₁₈N₄
Molecular Mass
242.31952
Exact Mass
242.1531466
Charge
0
InChI
InChI=1S/C14H18N4/c15-10-12-9-11-3-1-2-4-13(11)17-14(12)18-7-5-16-6-8-18/h9,16H,1-8H2
InChIKey
JGPOSWMBBXVJTN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2CCCCc2nc1N1CCNCC1
Isomeric Smiles
c1(nc2c(cc1C#N)CCCC2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8383908
LogD (pH = 7.4)
0.7457317
Log P
2.1044128
Molar Refractivity
72.1786
Polarizability
27.046736
Polar Surface Area
51.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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