Molecule

ID:35206

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₃
Molecular Mass
273.32696
Exact Mass
273.13649347
Charge
0
InChI
InChI=1S/C16H19NO3/c1-11-4-6-13(7-5-11)15-10-14(16(18)19)12(2)17(15)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKey
IOGINPKDOAQQDC-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(cc(c1C)C(=O)O)c1ccc(cc1)C
Isomeric Smiles
c1(c(n(c(c1)c1ccc(cc1)C)CCOC)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.38006
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0609934
LogD (pH = 7.4)
-0.24024725
Log P
3.1676226
Molar Refractivity
79.2178
Polarizability
30.966883
Polar Surface Area
51.46
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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