Molecule

ID:28944

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-5-17(21-18-8-6-7-14(2)11-18)13-20-19-12-15(3)9-10-16(19)4/h6-12,17,20H,5,13H2,1-4H3
InChIKey
JRLJALQDCGCMPH-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)C)CNc1cc(C)ccc1C
Isomeric Smiles
c1(NCC(Oc2cc(ccc2)C)CC)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5465255
LogD (pH = 7.4)
5.569139
Log P
5.569435
Molar Refractivity
90.8704
Polarizability
34.449657
Polar Surface Area
21.26
Rotatable Bonds
6
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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