Molecule

ID:45706

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey
UTYVDVLMYQPLQB-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)NCC(=O)O
Isomeric Smiles
C(=O)(NCC(=O)O)Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.66
LogD (pH = 5.5)
-1.02
Log P
0.51
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.99
Polar Surface Area
66.40
Polarizability
19.10
Molar Refractivity
50.17
LOG S
-1.42
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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