Molecule

ID:62284

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₂
Molecular Mass
302.41124
Exact Mass
302.19942808
Charge
0
InChI
InChI=1S/C18H26N2O2/c1-18-11-12-19-16(18)5-3-4-6-17(21)20(18)13-14-7-9-15(22-2)10-8-14/h7-10,16,19H,3-6,11-13H2,1-2H3/t16-,18-/m0/s1
InChIKey
WXMYTJHKDSYESC-WMZOPIPTSA-N
Canonic Smiles
COc1ccc(cc1)CN1C(=O)CCCC[C@H]2[C@]1(C)CCN2
Isomeric Smiles
N1([C@@]2([C@@H](NCC2)CCCCC1=O)C)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2139839
LogD (pH = 7.4)
-0.98373115
Log P
2.0241482
Molar Refractivity
87.0318
Polarizability
34.377266
Polar Surface Area
41.57
Rotatable Bonds
3
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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