Molecule

ID:28689

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-2-25-22-13-11-20(12-14-22)18-24-21-9-6-10-23(17-21)26-16-15-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3
InChIKey
BPYUNZFCWHVNNF-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
N(c1cc(OCCc2ccccc2)ccc1)Cc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2210646
LogD (pH = 7.4)
5.2250457
Log P
5.2250967
Molar Refractivity
107.907
Polarizability
41.182068
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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