Molecule

ID:29210

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-5-17-10-7-9-15(3)19(17)20-13-16(4)21-18-11-6-8-14(2)12-18/h6-12,16,20H,5,13H2,1-4H3
InChIKey
GCYGKUBFJIPECP-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NCC(Oc1cccc(c1)C)C)C
Isomeric Smiles
N(c1c(cccc1CC)C)CC(Oc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4785104
LogD (pH = 7.4)
5.491316
Log P
5.4914813
Molar Refractivity
90.9474
Polarizability
34.449238
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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