Molecule

ID:66858

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄O₂
Molecular Mass
274.31832
Exact Mass
274.14297584
Charge
0
InChI
InChI=1S/C14H18N4O2/c1-19-12-7-10-11(8-13(12)20-2)16-9-17-14(10)18-5-3-15-4-6-18/h7-9,15H,3-6H2,1-2H3
InChIKey
HGQPTOFRZXUHHS-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)ncnc2N1CCNCC1
Isomeric Smiles
n1cnc(c2cc(c(cc12)OC)OC)N1CCNCC1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.8685337
LogD (pH = 7.4)
-0.11090843
Log P
1.276293
Molar Refractivity
77.2244
Polarizability
30.378614
Polar Surface Area
59.51
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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