Molecule

ID:34983

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₃
Molecular Mass
318.41064
Exact Mass
318.1943427
Charge
0
InChI
InChI=1S/C18H26N2O3/c1-14(19-7-4-8-20-9-11-22-12-10-20)17-13-15-5-3-6-16(21-2)18(15)23-17/h3,5-6,13-14,19H,4,7-12H2,1-2H3
InChIKey
DRDZYXKGWQNTLG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(c2)C(NCCCN1CCOCC1)C
Isomeric Smiles
o1c(cc2c1c(OC)ccc2)C(NCCCN1CCOCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8801954
LogD (pH = 7.4)
-0.0019100144
Log P
1.7297268
Molar Refractivity
90.8656
Polarizability
36.824173
Polar Surface Area
46.87
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
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Molecule Details
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References
Bioactivity
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