Molecule

ID:30635

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₄O
Molecular Mass
296.3669
Exact Mass
296.16371128
Charge
0
InChI
InChI=1S/C17H20N4O/c1-12-4-3-5-15-20-16(13-6-8-14(18)9-7-13)17(21(12)15)19-10-11-22-2/h3-9,19H,10-11,18H2,1-2H3
InChIKey
LDDIKROUEOLQJZ-UHFFFAOYSA-N
Canonic Smiles
COCCNc1c(nc2n1c(C)ccc2)c1ccc(cc1)N
Isomeric Smiles
n12c(c(nc1cccc2C)c1ccc(N)cc1)NCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.46476275
LogD (pH = 7.4)
1.5498819
Log P
1.6783541
Molar Refractivity
91.0413
Polarizability
34.50421
Polar Surface Area
64.58
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
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Molecule Details
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References
Bioactivity
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