Molecule

ID:54828

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₁NO₃
Molecular Mass
369.49714
Exact Mass
369.23039386
Charge
0
InChI
InChI=1S/C23H31NO3/c1-16(2)14-18-6-9-20(10-7-18)17(3)23(25)24-13-12-19-8-11-21(26-4)22(15-19)27-5/h6-11,15-17H,12-14H2,1-5H3,(H,24,25)
InChIKey
YQOGXQFQNKOPQX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNC(=O)C(c2ccc(cc2)CC(C)C)C)ccc1OC
Isomeric Smiles
c1(ccc(cc1)C(C)C(=O)NCCc1ccc(c(c1)OC)OC)CC(C)C
Calculated Properties
JChem
Acid pKa
15.704256
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9580836
LogD (pH = 7.4)
4.9580836
Log P
4.9580836
Molar Refractivity
109.7448
Polarizability
42.668552
Polar Surface Area
47.56
Rotatable Bonds
9
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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