Molecule

ID:61193

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇N₅O
Molecular Mass
307.34978
Exact Mass
307.14331019
Charge
0
InChI
InChI=1S/C17H17N5O/c1-2-23-14-10-6-3-7-11(14)15-20-16(18)21-17-19-12-8-4-5-9-13(12)22(15)17/h3-10,15H,2H2,1H3,(H3,18,19,20,21)
InChIKey
XVDQINZJJOGIQJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C1N=C(N)Nc2n1c1ccccc1n2
Isomeric Smiles
c1ccc2c(c1)n1c(n2)NC(=NC1c1c(cccc1)OCC)N
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.2004915
LogD (pH = 7.4)
2.5562305
Log P
3.443062
Molar Refractivity
88.5471
Polarizability
34.54336
Polar Surface Area
77.46
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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