Molecule

ID:60891

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₅O
Molecular Mass
285.34426
Exact Mass
285.15896025
Charge
0
InChI
InChI=1S/C15H19N5O/c1-9(2)11-4-6-12(7-5-11)18-14(16)20-15-17-10(3)8-13(21)19-15/h4-9H,1-3H3,(H4,16,17,18,19,20,21)
InChIKey
NTQPRJPJZJGSSF-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(=O)cc([nH]1)C)Nc1ccc(cc1)C(C)C
Isomeric Smiles
c1(nc(=O)cc([nH]1)C)NC(=N)Nc1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
6.699987
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.06987798
LogD (pH = 7.4)
0.969568
Log P
1.9104366
Molar Refractivity
95.006
Polarizability
30.788607
Polar Surface Area
89.37
Rotatable Bonds
3
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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