Molecule

ID:41954

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀N₂O₂
Molecular Mass
318.4537
Exact Mass
318.23072821
Charge
0
InChI
InChI=1S/C19H30N2O2/c1-14(2)15-6-8-16(9-7-15)20-17-10-12-21(13-11-17)18(22)23-19(3,4)5/h6-9,14,17,20H,10-13H2,1-5H3
InChIKey
ZQGATDGLYABDTH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Nc1ccc(cc1)C(C)C)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(Nc2ccc(cc2)C(C)C)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4895782
LogD (pH = 7.4)
3.6161058
Log P
3.6179843
Molar Refractivity
95.5941
Polarizability
36.502453
Polar Surface Area
41.57
Rotatable Bonds
5
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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