Molecule

ID:39610

General Information
Structure
Molecular Formula
C₇H₉Cl₂NO
Molecular Mass
194.05846
Exact Mass
193.00611927
Charge
0
InChI
InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
PZPCEIVCWGWHCC-UHFFFAOYSA-N
Canonic Smiles
NOCc1cccc(c1)Cl.Cl
Isomeric Smiles
NOCc1cc(Cl)ccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9524803
LogD (pH = 7.4)
1.9658095
Log P
1.9659821
Molar Refractivity
41.7484
Polarizability
16.249014
Polar Surface Area
35.25
Rotatable Bonds
2
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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