Molecule

ID:87054

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-14(2,3)11-7-5-10(6-8-11)12-9-13(15)17(4)16-12/h5-9H,15H2,1-4H3
InChIKey
IFLSIEYNHCORPD-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1N)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(c2ccc(cc2)C(C)(C)C)cc(n1C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2358072
LogD (pH = 7.4)
3.239555
Log P
3.2396028
Molar Refractivity
82.3452
Polarizability
28.327345
Polar Surface Area
43.84
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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