Molecule

ID:78504

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄
Molecular Mass
242.31952
Exact Mass
242.1531466
Charge
0
InChI
InChI=1S/C14H18N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8,17-18H,9-10,15-16H2
InChIKey
QPPNMXFQUZHBAY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1NCCNc1ccccc1N
Isomeric Smiles
N(c1ccccc1N)CCNc1c(cccc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.8791205
LogD (pH = 7.4)
1.0599344
Log P
1.0626711
Molar Refractivity
79.9354
Polarizability
28.183535
Polar Surface Area
76.1
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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