Molecule

ID:83159

General Information
Structure
Molecular Formula
C₁₂H₁₁ClN₂O
Molecular Mass
234.68154
Exact Mass
234.05599066
Charge
0
InChI
InChI=1S/C12H11ClN2O/c1-8-5-3-4-6-11(8)15-9(2)10(7-14-15)12(13)16/h3-7H,1-2H3
InChIKey
MHSWLGGUNFSGJR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1n1ncc(c1C)C(=O)Cl
Isomeric Smiles
n1(c2ccccc2C)c(c(C(=O)Cl)cn1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9629421
LogD (pH = 7.4)
2.9629593
Log P
2.9629595
Molar Refractivity
65.7253
Polarizability
24.682175
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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