Molecule

ID:28931

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO
Molecular Mass
331.4507
Exact Mass
331.19361443
Charge
0
InChI
InChI=1S/C23H25NO/c1-18-13-19(2)15-22(14-18)24-17-21-9-6-10-23(16-21)25-12-11-20-7-4-3-5-8-20/h3-10,13-16,24H,11-12,17H2,1-2H3
InChIKey
PQGMAOBNZZNGPR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(NCc2cccc(c2)OCCc2ccccc2)cc(c1)C
Isomeric Smiles
c1(NCc2cc(OCCc3ccccc3)ccc2)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0344625
LogD (pH = 7.4)
6.052567
Log P
6.052803
Molar Refractivity
106.7776
Polarizability
40.388695
Polar Surface Area
21.26
Rotatable Bonds
7
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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