Molecule

ID:29488

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-3-5-13-22-18-11-9-16(10-12-18)15-20-17-7-6-8-19(14-17)21-4-2/h6-12,14,20H,3-5,13,15H2,1-2H3
InChIKey
FBAUJIJAUYMUHZ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNc1cccc(c1)OCC
Isomeric Smiles
N(c1cc(OCC)ccc1)Cc1ccc(cc1)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.531821
LogD (pH = 7.4)
4.5358105
Log P
4.5358615
Molar Refractivity
92.413
Polarizability
35.325443
Polar Surface Area
30.49
Rotatable Bonds
9
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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