Molecule

ID:14523

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO₃
Molecular Mass
267.70816
Exact Mass
267.06622099
Charge
0
InChI
InChI=1S/C13H13NO3.ClH/c1-16-13(15)10-7-11(17-12(10)8-14)9-5-3-2-4-6-9;/h2-7H,8,14H2,1H3;1H
InChIKey
PFOCNSWPAQJAHC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(oc1CN)c1ccccc1.Cl
Isomeric Smiles
c1(c(oc(c1)c1ccccc1)CN)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.47621927
LogD (pH = 7.4)
1.2041457
Log P
1.7299644
Molar Refractivity
63.9613
Polarizability
25.938078
Polar Surface Area
65.46
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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