Molecule

ID:19036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-6(2)8-5-9(11)7(3)4-10(8)12;/h4-6,12H,11H2,1-3H3;1H
InChIKey
BBJYJPIOFSRDGI-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(N)c(cc1O)C)C.Cl
Isomeric Smiles
c1(cc(c(cc1O)C)N)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
10.969388
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2908185
LogD (pH = 7.4)
2.5933745
Log P
2.599185
Molar Refractivity
51.9713
Polarizability
19.286919
Polar Surface Area
46.25
Rotatable Bonds
1
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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