Molecule

ID:28925

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-5-18(21-19-8-6-14(2)7-9-19)13-20-17-11-15(3)10-16(4)12-17/h6-12,18,20H,5,13H2,1-4H3
InChIKey
YYDWTLMRGWZWTM-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C)CNc1cc(C)cc(c1)C
Isomeric Smiles
c1(NCC(Oc2ccc(cc2)C)CC)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5341897
LogD (pH = 7.4)
5.568973
Log P
5.569435
Molar Refractivity
90.8704
Polarizability
34.44928
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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