Molecule

ID:30624

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H13NO2.ClH/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14;/h2-5,10H,6-7H2,1H3,(H,13,14);1H
InChIKey
YROXJSKGJQOTKP-UHFFFAOYSA-N
Canonic Smiles
CN1Cc2ccccc2CC1C(=O)O.Cl
Isomeric Smiles
N1(C(Cc2c(C1)cccc2)C(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
1.6592296
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.083449
LogD (pH = 7.4)
-1.0890348
Log P
-1.0835121
Molar Refractivity
53.7402
Polarizability
20.836498
Polar Surface Area
40.54
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
No Data Available
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Molecule Details
References
Bioactivity
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