Molecule

ID:20091

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂
Molecular Mass
263.71946
Exact Mass
263.07130637
Charge
0
InChI
InChI=1S/C14H14ClNO2/c1-9-3-5-13(14(7-9)17-2)18-12-6-4-10(16)8-11(12)15/h3-8H,16H2,1-2H3
InChIKey
SGYDCYUSGPJQLN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1Oc1ccc(cc1Cl)N
Isomeric Smiles
O(c1c(cc(N)cc1)Cl)c1c(cc(cc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.599303
LogD (pH = 7.4)
3.6043372
Log P
3.6044018
Molar Refractivity
73.3084
Polarizability
27.964046
Polar Surface Area
44.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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