Molecule

ID:78055

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3
InChIKey
RUKJCCIJLIMGEP-UHFFFAOYSA-N
Canonic Smiles
O=C/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
N(c1ccc(cc1)/C=C/C=O)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0152733
LogD (pH = 7.4)
2.084555
Log P
2.0855138
Molar Refractivity
56.5631
Polarizability
20.591461
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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