Molecule

ID:29392

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-3-12-22-18-8-4-16(5-9-18)15-20-17-6-10-19(11-7-17)23-14-13-21-2/h4-11,20H,3,12-15H2,1-2H3
InChIKey
FTASBQRQLMGPGD-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CNc1ccc(cc1)OCCOC
Isomeric Smiles
N(c1ccc(cc1)OCCOC)Cc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5832696
LogD (pH = 7.4)
3.6860275
Log P
3.6875093
Molar Refractivity
94.1069
Polarizability
35.997078
Polar Surface Area
39.72
Rotatable Bonds
10
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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