Molecule

ID:29505

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-2-25-22-12-6-8-19(16-22)18-24-20-9-7-13-23(17-20)27-15-14-26-21-10-4-3-5-11-21/h3-13,16-17,24H,2,14-15,18H2,1H3
InChIKey
AGCGECNNHIDDMV-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)CNc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
N(c1cc(OCCOc2ccccc2)ccc1)Cc1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.852039
LogD (pH = 7.4)
4.855962
Log P
4.856012
Molar Refractivity
109.0916
Polarizability
41.91003
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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