Molecule

ID:36209

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,18H2,1-2H3/b9-3+
InChIKey
QKPHRSWFCYOYQF-YCRREMRBSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2ccc(cc2)N)ccc1OC
Isomeric Smiles
C(=C\c1cc(c(cc1)OC)OC)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.440107
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7444594
LogD (pH = 7.4)
2.7460368
Log P
2.7460568
Molar Refractivity
84.5038
Polarizability
31.5056
Polar Surface Area
61.55
Rotatable Bonds
5
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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