Molecule

ID:13468

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O
Molecular Mass
276.41702
Exact Mass
276.22016353
Charge
0
InChI
InChI=1S/C17H28N2O/c1-16(2)10-14(11-17(3,4)19-16)18-12-13-6-8-15(20-5)9-7-13/h6-9,14,18-19H,10-12H2,1-5H3
InChIKey
XXOHDYYWLVIMAX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CC(C)(C)NC(C1)(C)C
Isomeric Smiles
c1c(ccc(c1)CNC1CC(NC(C1)(C)C)(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.331109
LogD (pH = 7.4)
-1.3275928
Log P
2.411985
Molar Refractivity
84.0396
Polarizability
33.618053
Polar Surface Area
33.29
Rotatable Bonds
4
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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