Molecule

ID:24026

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-11(2)7-8-4-3-5-9(6-8)10(12)13;/h3-6H,7H2,1-2H3,(H,12,13);1H
InChIKey
DKVQUAMTOFSCLE-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cccc(c1)C(=O)O)C.Cl
Isomeric Smiles
c1(cc(ccc1)C(=O)O)CN(C)C.Cl
Calculated Properties
JChem
Acid pKa
3.5717716
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.160124
LogD (pH = 7.4)
-1.166222
Log P
-1.157525
Molar Refractivity
51.8569
Polarizability
19.695663
Polar Surface Area
40.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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