Molecule

ID:41347

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂
Molecular Mass
211.6449
Exact Mass
211.04000625
Charge
0
InChI
InChI=1S/C10H10ClNO2/c1-10(6-14-10)9(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
OMCHEYSSFBCQBT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)OC1)Nc1ccc(cc1)Cl
Isomeric Smiles
C1(OC1)(C(=O)Nc1ccc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
12.648275
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1140766
LogD (pH = 7.4)
2.1140742
Log P
2.1140766
Molar Refractivity
54.6688
Polarizability
20.755718
Polar Surface Area
41.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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