Molecule

ID:115475

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₅O
Molecular Mass
283.32838
Exact Mass
283.14331019
Charge
0
InChI
InChI=1S/C15H17N5O/c1-11-4-2-3-5-12(11)9-19-10-17-14-13(15(19)21)8-18-20(14)7-6-16/h2-5,8,10H,6-7,9,16H2,1H3
InChIKey
KCWQPUSHLSNMBF-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc2c1ncn(c2=O)Cc1ccccc1C
Isomeric Smiles
c12c(ncn(c1=O)Cc1c(C)cccc1)n(nc2)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0934613
LogD (pH = 7.4)
-1.2651197
Log P
0.9064796
Molar Refractivity
93.5564
Polarizability
30.131628
Polar Surface Area
76.51
Rotatable Bonds
4
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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