Molecule

ID:28731

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-15(2)21-19-12-10-17(11-13-19)20-14-16(3)22-18-8-6-5-7-9-18/h5-13,15-16,20H,4,14H2,1-3H3
InChIKey
NIJZXPZLXXSYHL-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)NCC(Oc1ccccc1)C)C
Isomeric Smiles
N(c1ccc(OC(CC)C)cc1)CC(Oc1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4722157
LogD (pH = 7.4)
4.642218
Log P
4.6448827
Molar Refractivity
91.3774
Polarizability
35.329014
Polar Surface Area
30.49
Rotatable Bonds
8
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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