Molecule

ID:127956

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO
Molecular Mass
319.44
Exact Mass
319.19361443
Charge
0
InChI
InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKey
YBIPNGRKUAVSBG-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1C
Isomeric Smiles
O=C(c1c2ccccc2n(c1)CCCCC)Cc1ccccc1C
Calculated Properties
JChem
Acid pKa
15.904958
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.96956
LogD (pH = 7.4)
5.96956
Log P
5.96956
Molar Refractivity
100.6817
Polarizability
39.878513
Polar Surface Area
22.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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