Molecule

ID:105910

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N₃
Molecular Mass
267.36874
Exact Mass
267.17354769
Charge
0
InChI
InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
InChIKey
JPIYZTWMUGTEHX-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C
Isomeric Smiles
CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.73
LogD (pH = 5.5)
0.25
Log P
3.66
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.51
Polar Surface Area
30.33
Polarizability
31.91
Molar Refractivity
97.96
LOG S
-3.45
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
References
Bioactivity
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