Molecule

ID:28947

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-5-17-8-10-18(11-9-17)21-16(4)13-20-19-12-14(2)6-7-15(19)3/h6-12,16,20H,5,13H2,1-4H3
InChIKey
RCAIUMSWYATVTH-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(CNc1cc(C)ccc1C)C
Isomeric Smiles
c1(NCC(Oc2ccc(cc2)CC)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4701133
LogD (pH = 7.4)
5.4912057
Log P
5.4914813
Molar Refractivity
90.9474
Polarizability
34.448124
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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