Molecule

ID:41370

General Information
Structure
Molecular Formula
C₇H₇Cl₂NO
Molecular Mass
192.04258
Exact Mass
190.99046921
Charge
0
InChI
InChI=1S/C7H7Cl2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
InChIKey
AJROJTARXSATEB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)c(cc1Cl)Cl
Isomeric Smiles
c1c(c(cc(c1Cl)OC)N)Cl
Calculated Properties
JChem
Acid pKa
19.965225
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.194669
LogD (pH = 7.4)
2.1947372
Log P
2.194738
Molar Refractivity
46.8312
Polarizability
17.7997
Polar Surface Area
35.25
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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