Molecule

ID:29476

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-16(2)11-12-23-20-9-6-8-19(14-20)22-15-18-7-5-10-21(13-18)24-17(3)4/h5-10,13-14,16-17,22H,11-12,15H2,1-4H3
InChIKey
SFKBHAUMCYTYOO-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)NCc1cccc(c1)OC(C)C)C
Isomeric Smiles
N(c1cc(OCCC(C)C)ccc1)Cc1cc(OC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.23545
LogD (pH = 7.4)
5.239405
Log P
5.2394557
Molar Refractivity
101.3804
Polarizability
39.016727
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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