Molecule

ID:40698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₂
Molecular Mass
261.70358
Exact Mass
261.05565631
Charge
0
InChI
InChI=1S/C14H12ClNO2/c1-18-14(17)12-5-3-11(4-6-12)13-7-2-10(8-15)9-16-13/h2-7,9H,8H2,1H3
InChIKey
ZLQQSIUJKPYNEW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(cn1)CCl
Isomeric Smiles
n1c(c2ccc(C(=O)OC)cc2)ccc(c1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.368364
LogD (pH = 7.4)
3.3792276
Log P
3.379368
Molar Refractivity
70.5575
Polarizability
28.44955
Polar Surface Area
39.19
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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