Molecule

ID:20141

General Information
Structure
Molecular Formula
C₁₄H₁₄ClNO₃
Molecular Mass
279.71886
Exact Mass
279.06622099
Charge
0
InChI
InChI=1S/C14H13NO3.ClH/c1-17-14(16)10-3-2-4-13(9-10)18-12-7-5-11(15)6-8-12;/h2-9H,15H2,1H3;1H
InChIKey
PSUMINGMSMDBIC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Oc1ccc(cc1)N.Cl
Isomeric Smiles
c1cc(Oc2ccc(N)cc2)cc(c1)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6295013
LogD (pH = 7.4)
2.647845
Log P
2.648084
Molar Refractivity
69.0245
Polarizability
26.211943
Polar Surface Area
61.55
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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