Molecule

ID:29577

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-3-4-15-21-19-12-8-7-11-18(19)20-14-13-17-10-6-5-9-16(17)2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKey
HCQOAGLZCWQZLN-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1NCCc1ccccc1C
Isomeric Smiles
c1(c(OCCCC)cccc1)NCCc1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.964688
LogD (pH = 7.4)
5.1361156
Log P
5.1388073
Molar Refractivity
90.9974
Polarizability
34.529896
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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