Molecule

ID:77956

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN
Molecular Mass
191.6568
Exact Mass
191.05017701
Charge
0
InChI
InChI=1S/C11H10ClN/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,7H2,1H3
InChIKey
GRCWGPJQMVGBNY-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(C)nc2c1cccc2
Isomeric Smiles
n1c2c(c(cc1C)CCl)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7203636
LogD (pH = 7.4)
2.847613
Log P
2.8495128
Molar Refractivity
54.4377
Polarizability
22.388815
Polar Surface Area
12.89
Rotatable Bonds
1
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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