Molecule

ID:129153

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c21-15-4-3-14-9-18-16-5-8-22-12-19(16,17(14)10-15)6-7-20(18)11-13-1-2-13/h3-4,10,13,16,18,21H,1-2,5-9,11-12H2
InChIKey
USEITRSTDJBLBU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)C13COCCC3C(C2)N(CC1)CC1CC1
Isomeric Smiles
c1cc2c(cc1O)C13CCN(C(C2)C1CCOC3)CC1CC1
Calculated Properties
JChem
Acid pKa
9.884986
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.89107645
LogD (pH = 7.4)
-0.26255125
Log P
1.8241183
Molar Refractivity
87.4174
Polarizability
34.01678
Polar Surface Area
32.7
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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