Molecule

ID:48450

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9-11,16H2
InChIKey
QSVBXCSFWJZIKR-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(CN)cccn2)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.51057667
LogD (pH = 7.4)
1.0026281
Log P
2.3482049
Molar Refractivity
75.0388
Polarizability
28.269918
Polar Surface Area
42.15
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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