Molecule

ID:17666

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-11-8-13(10-18)12(2)17(11)14-4-5-15-16(9-14)20-7-3-6-19-15/h4-5,8-10H,3,6-7H2,1-2H3
InChIKey
LTOGOQFMGBNPEP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1ccc2c(c1)OCCCO2)C
Isomeric Smiles
c1(n2c(c(cc2C)C=O)C)cc2c(cc1)OCCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6352
LogD (pH = 7.4)
1.6352
Log P
1.6352
Molar Refractivity
88.5166
Polarizability
29.878778
Polar Surface Area
40.46
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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