Molecule
ID:119993
General Information
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKey
XBPWPQBDGZFHQI-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@@H](N1Cc2c(C1=O)cccc2)C
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)[C@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.5373082
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.88657326
LogD (pH = 7.4)
-2.2946937
Log P
1.0692132
Molar Refractivity
54.0629
Polarizability
20.345837
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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