Molecule

ID:29473

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₃
Molecular Mass
343.45986
Exact Mass
343.21474379
Charge
0
InChI
InChI=1S/C21H29NO3/c1-17(2)11-12-24-21-6-4-5-19(15-21)22-16-18-7-9-20(10-8-18)25-14-13-23-3/h4-10,15,17,22H,11-14,16H2,1-3H3
InChIKey
FJCADSAARHAHKH-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNc1cccc(c1)OCCC(C)C
Isomeric Smiles
N(c1cc(OCCC(C)C)ccc1)Cc1ccc(cc1)OCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.4150605
LogD (pH = 7.4)
4.419046
Log P
4.419097
Molar Refractivity
103.2565
Polarizability
39.686302
Polar Surface Area
39.72
Rotatable Bonds
11
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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