Molecule

ID:129697

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₅O₂
Molecular Mass
285.3012
Exact Mass
285.12257475
Charge
0
InChI
InChI=1S/C14H15N5O2/c1-8-15-12(18-21-8)10-7-19-11-6-4-3-5-9(11)13(20-2)17-14(19)16-10/h7H,3-6H2,1-2H3
InChIKey
OYKONKGGKFFMDV-UHFFFAOYSA-N
Canonic Smiles
COc1nc2nc(cn2c2c1CCCC2)c1noc(n1)C
Isomeric Smiles
Cc1nc(c2cn3c(nc(OC)c4c3CCCC4)n2)no1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.350189
LogD (pH = 7.4)
2.3502572
Log P
2.350258
Molar Refractivity
89.1759
Polarizability
28.621996
Polar Surface Area
78.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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