Molecule

ID:54103

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-5-18-15(17)11(2)12(3)16-13(4)14-9-7-6-8-10-14/h6-10,13,16H,5H2,1-4H3/b12-11+
InChIKey
GAEGFWYLCGCNJJ-VAWYXSNFSA-N
Canonic Smiles
CCOC(=O)/C(=C(/NC(c1ccccc1)C)\C)/C
Isomeric Smiles
O(C(=O)/C(=C(/NC(c1ccccc1)C)\C)/C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7869546
LogD (pH = 7.4)
3.077597
Log P
3.0829077
Molar Refractivity
74.4265
Polarizability
28.562773
Polar Surface Area
38.33
Rotatable Bonds
6
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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