Molecule

ID:25218

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₃
Molecular Mass
283.75062
Exact Mass
283.09752112
Charge
0
InChI
InChI=1S/C14H18ClNO3/c1-14(13(18)19-2)7-10(8-17)12(16-14)9-3-5-11(15)6-4-9/h3-6,10,12,16-17H,7-8H2,1-2H3
InChIKey
IZLPWNSRSORQIZ-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(NC1c1ccc(cc1)Cl)(C)C(=O)OC
Isomeric Smiles
N1C(C(=O)OC)(CC(C1c1ccc(cc1)Cl)CO)C
Calculated Properties
JChem
Acid pKa
15.407201
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7396175
LogD (pH = 7.4)
1.7801375
Log P
1.8396543
Molar Refractivity
72.9358
Polarizability
29.127295
Polar Surface Area
58.56
Rotatable Bonds
4
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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