Molecule

ID:29673

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₁NO₃
Molecular Mass
369.49714
Exact Mass
369.23039386
Charge
0
InChI
InChI=1S/C23H31NO3/c1-23(2,3)21-11-4-5-12-22(21)26-15-13-24-18-8-6-9-19(16-18)27-17-20-10-7-14-25-20/h4-6,8-9,11-12,16,20,24H,7,10,13-15,17H2,1-3H3
InChIKey
CIMRMUMNSIUBPM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCNc1cccc(c1)OCC1CCCO1)(C)C
Isomeric Smiles
c1(C(C)(C)C)c(OCCNc2cc(OCC3OCCC3)ccc2)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.8891582
LogD (pH = 7.4)
4.8959603
Log P
4.8960476
Molar Refractivity
110.1878
Polarizability
42.56635
Polar Surface Area
39.72
Rotatable Bonds
9
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
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References
Bioactivity
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