Molecule

ID:101957

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃
Molecular Mass
271.4005
Exact Mass
271.20484782
Charge
0
InChI
InChI=1S/C17H25N3/c1-16(2,3)14-11-15(17(4,5)6)20(19-14)13-9-7-12(18)8-10-13/h7-11H,18H2,1-6H3
InChIKey
FMNZOGJPLKROCT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1nc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
n1(nc(cc1C(C)(C)C)C(C)(C)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.465545
LogD (pH = 7.4)
4.623658
Log P
4.6261024
Molar Refractivity
85.9574
Polarizability
33.160534
Polar Surface Area
43.84
Rotatable Bonds
3
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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