Molecule

ID:125785

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O₂
Molecular Mass
292.41642
Exact Mass
292.21507815
Charge
0
InChI
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)
InChIKey
WUSAVCGXMSWMQM-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(c1ccc(cc1)OC)C(=O)N)CCCC
Isomeric Smiles
O=C(N)C(c1ccc(OC)cc1)N(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
16.215809
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5231516
LogD (pH = 7.4)
2.2911713
Log P
3.2877662
Molar Refractivity
86.4632
Polarizability
33.99589
Polar Surface Area
55.56
Rotatable Bonds
10
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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