Molecule

ID:101327

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₄O₂
Molecular Mass
306.40324
Exact Mass
306.20557609
Charge
0
InChI
InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-9-7-19(8-10-20)14-11-13(12-17-4)5-6-18-14/h5-6,11,17H,7-10,12H2,1-4H3
InChIKey
BNLNDKXJNWJYKP-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(c2nccc(c2)CNC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.40624
LogD (pH = 7.4)
-0.20376065
Log P
1.7636883
Molar Refractivity
87.6417
Polarizability
33.523605
Polar Surface Area
57.7
Rotatable Bonds
5
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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