Molecule

ID:118395

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-4-7-16-11-8-10(15)5-6-12(11)18-9-14(2,3)13(16)17/h4-6,8H,1,7,9,15H2,2-3H3
InChIKey
XOOKJZGSTNTZFK-UHFFFAOYSA-N
Canonic Smiles
C=CCN1C(=O)C(C)(C)COc2c1cc(N)cc2
Isomeric Smiles
N1(C(=O)C(COc2c1cc(N)cc2)(C)C)CC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.795634
LogD (pH = 7.4)
1.8561872
Log P
1.8570172
Molar Refractivity
71.579
Polarizability
27.10089
Polar Surface Area
55.56
Rotatable Bonds
2
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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