Molecule

ID:127391

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₄
Molecular Mass
373.48584
Exact Mass
373.22530848
Charge
0
InChI
InChI=1S/C22H31NO4/c1-7-22(23(2)3,18-11-9-8-10-12-18)16-27-15-17-13-19(24-4)21(26-6)20(14-17)25-5/h8-14H,7,15-16H2,1-6H3/t22-/m0/s1
InChIKey
MVKIWCDXKCUDEH-QFIPXVFZSA-N
Canonic Smiles
CC[C@](c1ccccc1)(N(C)C)COCc1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
O(c1cc(cc(OC)c1OC)COC[C@@](c1ccccc1)(N(C)C)CC)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.685099
LogD (pH = 7.4)
2.1624806
Log P
3.9819925
Molar Refractivity
108.4788
Polarizability
42.5818
Polar Surface Area
40.16
Rotatable Bonds
10
Lipinski's Rule of Five
true
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
References
Bioactivity
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