Molecule

ID:61207

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₅
Molecular Mass
255.31828
Exact Mass
255.14839557
Charge
0
InChI
InChI=1S/C14H17N5/c1-9-5-4-6-12(7-9)18-13(15)19-14-16-10(2)8-11(3)17-14/h4-8H,1-3H3,(H3,15,16,17,18,19)
InChIKey
YQLFGAGCBRIDNT-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(C)cc(n1)C)Nc1cccc(c1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.628779
LogD (pH = 7.4)
2.6103122
Log P
2.662754
Molar Refractivity
89.3593
Polarizability
28.264582
Polar Surface Area
73.69
Rotatable Bonds
2
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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