Molecule

ID:61211

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₅O
Molecular Mass
271.31768
Exact Mass
271.14331019
Charge
0
InChI
InChI=1S/C14H17N5O/c1-9-8-10(2)17-14(16-9)19-13(15)18-11-6-4-5-7-12(11)20-3/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKey
TXLHKMPASGGCKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=N)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccccc1OC)C
Calculated Properties
JChem
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
1.4087842
LogD (pH = 7.4)
1.9763103
Log P
1.9916614
Molar Refractivity
90.7813
Polarizability
29.023129
Polar Surface Area
82.92
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
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Molecule Details
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References
Bioactivity
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