Molecule

ID:123732

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN
Molecular Mass
191.6568
Exact Mass
191.05017701
Charge
0
InChI
InChI=1S/C11H10ClN/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h3-6H,1-2H3
InChIKey
OREYGYAAYFXMIZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(Cl)ccn2
Isomeric Smiles
c12c(c(cc(c1)C)C)nccc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.756645
LogD (pH = 7.4)
3.7617228
Log P
3.761788
Molar Refractivity
54.8665
Polarizability
22.369432
Polar Surface Area
12.89
Rotatable Bonds
0
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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