Molecule

ID:13203

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₃
Molecular Mass
287.35354
Exact Mass
287.15214354
Charge
0
InChI
InChI=1S/C17H21NO3/c1-19-15-10-9-14(16(20-2)17(15)21-3)12-18-11-13-7-5-4-6-8-13/h4-10,18H,11-12H2,1-3H3
InChIKey
NJYGEYFQNOYZCB-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCc2ccccc2)ccc(c1OC)OC
Isomeric Smiles
c1cccc(c1)CNCc1c(c(c(cc1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.08922166
LogD (pH = 7.4)
1.8002925
Log P
2.7830539
Molar Refractivity
83.3082
Polarizability
32.685852
Polar Surface Area
39.72
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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