Molecule

ID:35661

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂N₂O
Molecular Mass
304.47018
Exact Mass
304.25146365
Charge
0
InChI
InChI=1S/C19H32N2O/c1-4-11-21-12-5-7-18-14-17(8-9-19(18)21)15-20-10-6-13-22-16(2)3/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3
InChIKey
ANKWKSWOGVLIOR-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCCc2c1ccc(c2)CNCCCOC(C)C
Isomeric Smiles
c12N(CCCc1cc(cc2)CNCCCOC(C)C)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.43252572
LogD (pH = 7.4)
1.4066454
Log P
3.7897933
Molar Refractivity
95.9941
Polarizability
36.84602
Polar Surface Area
24.5
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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