Molecule

ID:29334

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₃
Molecular Mass
343.45986
Exact Mass
343.21474379
Charge
0
InChI
InChI=1S/C21H29NO3/c1-16(2)13-14-24-20-7-5-18(6-8-20)22-15-17(3)25-21-11-9-19(23-4)10-12-21/h5-12,16-17,22H,13-15H2,1-4H3
InChIKey
SIZBGFPDACXBFK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(CNc1ccc(cc1)OCCC(C)C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)CC(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.6255417
LogD (pH = 7.4)
4.7994843
Log P
4.802224
Molar Refractivity
102.5714
Polarizability
39.67228
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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