Molecule

ID:58406

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-4,8H,5H2,1H3,(H,12,13)(H,14,15)
InChIKey
JFIPUEDLUPIYIA-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccc(cc2C(C1)C(=O)O)C
Isomeric Smiles
c12c(NC(=O)CC1C(=O)O)ccc(c2)C
Calculated Properties
JChem
Acid pKa
4.0570154
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.20203996
LogD (pH = 7.4)
-1.8726751
Log P
1.2527847
Molar Refractivity
55.467
Polarizability
20.469866
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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