Molecule

ID:29027

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-19(2,3)17-10-5-6-11-18(17)22-13-12-20-15-8-7-9-16(14-15)21-4/h5-11,14,20H,12-13H2,1-4H3
InChIKey
NFLPMMMKTOELEB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NCCOc1ccccc1C(C)(C)C
Isomeric Smiles
c1(C(C)(C)C)c(OCCNc2cc(OC)ccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.47042
LogD (pH = 7.4)
4.4773693
Log P
4.4774585
Molar Refractivity
91.9331
Polarizability
35.249866
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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