Molecule

ID:42442

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO₂
Molecular Mass
335.4394
Exact Mass
335.18852905
Charge
0
InChI
InChI=1S/C22H25NO2/c1-15-12-13-17-20(14-15)25-19-11-7-10-18(21(19)22(17)24)23-16-8-5-3-2-4-6-9-16/h7,10-14,16,23H,2-6,8-9H2,1H3
InChIKey
YUEGXTWMGCEDIG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)oc1c(c2=O)c(ccc1)NC1CCCCCCC1
Isomeric Smiles
c12c(=O)c3c(oc1cccc2NC1CCCCCCC1)cc(cc3)C
Calculated Properties
JChem
Acid pKa
17.763033
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.283349
LogD (pH = 7.4)
6.2842364
Log P
6.2842474
Molar Refractivity
102.2675
Polarizability
38.907986
Polar Surface Area
38.33
Rotatable Bonds
2
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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