Molecule

ID:129169

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O
Molecular Mass
285.38402
Exact Mass
285.18411237
Charge
0
InChI
InChI=1S/C17H23N3O/c1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h9-13,15H,2-8H2,1H3
InChIKey
OAVLEYPTWABFLF-UHFFFAOYSA-N
Canonic Smiles
CCCCC1CCC(CC1)c1onc(n1)c1ccncc1
Isomeric Smiles
C1CC(CCCC)CCC1c1onc(n1)c1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.667191
LogD (pH = 7.4)
4.667768
Log P
4.667775
Molar Refractivity
93.9228
Polarizability
32.427986
Polar Surface Area
51.81
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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