Molecule

ID:14635

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₆O
Molecular Mass
274.32162
Exact Mass
274.15420923
Charge
0
InChI
InChI=1S/C13H18N6O/c1-3-18(4-2)12(20)9-19-16-13(15-17-19)10-5-7-11(14)8-6-10/h5-8H,3-4,9,14H2,1-2H3
InChIKey
JFIGFZCGKRODJX-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)Cn1nnc(n1)c1ccc(cc1)N)CC
Isomeric Smiles
c1(c2ccc(cc2)N)nn(nn1)CC(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.31005
LogD (pH = 7.4)
1.3104931
Log P
1.3104987
Molar Refractivity
100.534
Polarizability
29.060436
Polar Surface Area
89.93
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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