Molecule

ID:89315

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂NO
Molecular Mass
192.04258
Exact Mass
190.99046921
Charge
0
InChI
InChI=1S/C7H6ClNO.ClH/c1-5-3-2-4-6(9-5)7(8)10;/h2-4H,1H3;1H
InChIKey
GQLUZDNHRAZQQU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C(=O)Cl.Cl
Isomeric Smiles
n1c(cccc1C)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4632876
LogD (pH = 7.4)
1.4637011
Log P
1.4637065
Molar Refractivity
39.2353
Polarizability
14.981998
Polar Surface Area
29.96
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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