Molecule

ID:57990

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃
Molecular Mass
235.28382
Exact Mass
235.11094743
Charge
0
InChI
InChI=1S/C15H13N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9,11H2
InChIKey
QTPARYQPKQDVAT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(C#N)cccn2)Cc2c(CC1)cccc2
Calculated Properties
Provided by Enamine
CLogP
2.32
H Donor
0
Polar Surface Area
39.92
Rotatable Bonds
1
JChem
Log P
3.08
LogD (pH = 7.4)
3.08
LogD (pH = 5.5)
3.08
Rotatable Bonds
1
H Donor
0
H Acceptors
3
Polar Surface Area
39.92
Molar Refractivity
72
Polarizability
25.71
Lipinski's Rule of Five
true
LOG S
-3.09
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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