Molecule

ID:29105

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-14(2)18-9-8-16(4)13-19(18)21-11-10-20-17-7-5-6-15(3)12-17/h5-9,12-14,20H,10-11H2,1-4H3
InChIKey
TYINNIMXCDNOQS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)NCCOc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)OCCNc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.337334
LogD (pH = 7.4)
5.361607
Log P
5.3619256
Molar Refractivity
91.0772
Polarizability
34.449165
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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