Molecule

ID:29660

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-21-14-5-13-20-16-18-8-10-19(11-9-18)22-15-12-17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3
InChIKey
NMJCPNSBRDAFPE-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(ccc(cc1)CNCCCOC)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21084647
LogD (pH = 7.4)
1.2078092
Log P
3.4000418
Molar Refractivity
91.0457
Polarizability
35.65963
Polar Surface Area
30.49
Rotatable Bonds
10
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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