Molecule

ID:57307

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey
KTFGFGGLCMGYTP-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)CCC(=O)O
Isomeric Smiles
C(=O)(Nc1ccccc1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.269064
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.21773499
LogD (pH = 7.4)
-1.9494791
Log P
1.0358189
Molar Refractivity
51.8143
Polarizability
19.432474
Polar Surface Area
66.4
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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