Molecule

ID:29426

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-16(2)15-24-20-6-4-5-18(13-20)21-14-17-7-9-19(10-8-17)23-12-11-22-3/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChIKey
DPMIWRLGIYSKHD-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1cccc(c1)OCC(C)C
Isomeric Smiles
N(c1cc(OCC(C)C)ccc1)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.048449
LogD (pH = 7.4)
4.052431
Log P
4.052482
Molar Refractivity
98.5785
Polarizability
37.842133
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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