Molecule

ID:77314

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₅
Molecular Mass
303.30988
Exact Mass
303.11067265
Charge
0
InChI
InChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-8-11(9-18)12-6-5-10(7-13(12)17)14(19)21-4/h5-9H,1-4H3
InChIKey
ZWBQQPNSHLBCRE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)n(cc2C=O)C(=O)OC(C)(C)C
Isomeric Smiles
n1(C(=O)OC(C)(C)C)cc(c2ccc(cc12)C(=O)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.781047
LogD (pH = 7.4)
2.781047
Log P
2.781047
Molar Refractivity
80.4533
Polarizability
31.82063
Polar Surface Area
74.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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