Molecule

ID:60133

General Information
Structure
Molecular Formula
C₁₇H₃₁N₃O
Molecular Mass
293.44754
Exact Mass
293.24671263
Charge
0
InChI
InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
InChIKey
OZNYZQOTXQSUJM-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)N/C(=N/C1CCCCC1)/N1CCOCC1
Isomeric Smiles
C1COCCN1/C(=N\C1CCCCC1)/NC1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.76862764
LogD (pH = 7.4)
0.7697198
Log P
3.1840725
Molar Refractivity
86.2874
Polarizability
33.54351
Polar Surface Area
36.86
Rotatable Bonds
2
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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