Molecule

ID:120102

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-11(2)13(14(16)17)15-10-6-9-12-7-4-3-5-8-12;/h3-9,11,13,15H,10H2,1-2H3,(H,16,17);1H/b9-6+;
InChIKey
CSUFVOQPXKWJJO-MLBSPLJJSA-N
Canonic Smiles
CC(C(C(=O)O)NC/C=C/c1ccccc1)C.Cl
Isomeric Smiles
C(=O)(C(NC/C=C/c1ccccc1)C(C)C)O.Cl
Calculated Properties
JChem
Acid pKa
2.1626153
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6044346
LogD (pH = 7.4)
0.60387087
Log P
0.6045279
Molar Refractivity
69.1987
Polarizability
26.934692
Polar Surface Area
49.33
Rotatable Bonds
6
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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