Molecule

ID:28733

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-5-17(4)23-20-13-9-18(10-14-20)22-15-19(6-2)24-21-11-7-16(3)8-12-21/h7-14,17,19,22H,5-6,15H2,1-4H3
InChIKey
NRDIPSRMBKGZAY-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C)CNc1ccc(cc1)OC(CC)C
Isomeric Smiles
N(c1ccc(OC(CC)C)cc1)CC(Oc1ccc(cc1)C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.497749
LogD (pH = 7.4)
5.677965
Log P
5.6808267
Molar Refractivity
100.9426
Polarizability
38.940285
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
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References
Bioactivity
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