Molecule

ID:36213

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,17H2,1H3/b10-5+
InChIKey
ZCZSDVBWDJFJHL-BJMVGYQFSA-N
Canonic Smiles
COc1cccc(c1)/C=C/C(=O)c1ccc(cc1)N
Isomeric Smiles
C(=C\c1cc(OC)ccc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.257812
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9020183
LogD (pH = 7.4)
2.9037066
Log P
2.903728
Molar Refractivity
78.0406
Polarizability
29.000025
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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