Molecule

ID:29603

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO
Molecular Mass
319.44
Exact Mass
319.19361443
Charge
0
InChI
InChI=1S/C22H25NO/c1-17(2)13-14-24-20-10-5-7-18(15-20)16-23-22-12-6-9-19-8-3-4-11-21(19)22/h3-12,15,17,23H,13-14,16H2,1-2H3
InChIKey
ORRYAXDCCGGXCR-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)CNc1cccc2c1cccc2)C
Isomeric Smiles
N(c1c2c(ccc1)cccc2)Cc1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.609455
LogD (pH = 7.4)
5.613173
Log P
5.6132207
Molar Refractivity
102.2
Polarizability
40.437572
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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