Molecule

ID:61099

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₅
Molecular Mass
267.32898
Exact Mass
267.14839557
Charge
0
InChI
InChI=1S/C15H17N5/c16-14-18-13(10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)17-15(20)19-14/h1-2,4-5,8-10,13H,3,6-7H2,(H3,16,17,18,19)
InChIKey
BBDJTVWJDLONIW-UHFFFAOYSA-N
Canonic Smiles
NC1=NC(C2CCC=CC2)n2c(N1)nc1c2cccc1
Isomeric Smiles
n12c(NC(=NC1C1CC=CCC1)N)nc1c2cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0295141
LogD (pH = 7.4)
2.4982965
Log P
3.157463
Molar Refractivity
79.6395
Polarizability
30.683008
Polar Surface Area
68.23
Rotatable Bonds
1
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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