Molecule

ID:105784

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H12N2O2.ClH/c15-13(16)10-6-8-12(9-7-10)18-14(17)11-4-2-1-3-5-11;/h1-9H,(H3,15,16);1H
InChIKey
FUWJMFDIDBBJIO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Oc1ccc(cc1)C(=N)N.Cl
Isomeric Smiles
Cl.NC(=N)c1ccc(OC(=O)c2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.13979669
LogD (pH = 7.4)
0.14801368
Log P
2.5551498
Molar Refractivity
79.5334
Polarizability
26.16715
Polar Surface Area
76.17
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
No Data Available
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Molecule Details
References
Bioactivity
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