Molecule

ID:28984

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-15(2)12-13-21-19-7-5-4-6-17(19)14-20-18-10-8-16(3)9-11-18/h4-11,15,20H,12-14H2,1-3H3
InChIKey
ULMOHSXYJMETSW-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccccc1CNc1ccc(cc1)C)C
Isomeric Smiles
c1(CNc2ccc(cc2)C)c(OCCC(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1129613
LogD (pH = 7.4)
5.136852
Log P
5.137165
Molar Refractivity
90.791
Polarizability
34.605305
Polar Surface Area
21.26
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
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References
Bioactivity
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