Molecule

ID:39751

General Information
Structure
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c1-10-11(2)17(14(16)13(10)8-15)9-12-6-4-3-5-7-12/h3-7H,9,16H2,1-2H3
InChIKey
RJDOFGRDZKVLTM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)n(c(c1C)C)Cc1ccccc1
Isomeric Smiles
n1(c(c(c(c1C)C)C#N)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.830672
LogD (pH = 7.4)
2.8307223
Log P
2.830723
Molar Refractivity
70.1923
Polarizability
25.901167
Polar Surface Area
54.74
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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