Molecule

ID:21291

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₃
Molecular Mass
269.72404
Exact Mass
269.08187106
Charge
0
InChI
InChI=1S/C13H16ClNO3/c1-8-3-4-10(14)12(5-8)18-9-6-11(15-7-9)13(16)17-2/h3-5,9,11,15H,6-7H2,1-2H3/t9?,11-/m0/s1
InChIKey
DWXQWYXLBQNENO-UMJHXOGRSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1cc(C)ccc1Cl
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(ccc(c2)C)Cl)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3147582
LogD (pH = 7.4)
2.3013303
Log P
2.3526728
Molar Refractivity
68.2572
Polarizability
27.295835
Polar Surface Area
47.56
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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