Molecule

ID:85637

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey
GVOWHGSUZUUUDR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1NC
Isomeric Smiles
O(C(=O)c1c(cccc1)NC)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.10
LogD (pH = 5.5)
2.10
Log P
2.10
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.14
Polar Surface Area
38.33
Polarizability
17.58
Molar Refractivity
48.28
LOG S
-1.54
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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