Molecule

ID:59346

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey
ITHNHEWXIBNEDG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1nc(cc1N)C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C(C)(C)C)N)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7579765
LogD (pH = 7.4)
3.763684
Log P
3.7637575
Molar Refractivity
71.7085
Polarizability
27.621786
Polar Surface Area
43.84
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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