Molecule

ID:20079

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO
Molecular Mass
254.11196
Exact Mass
253.00611927
Charge
0
InChI
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
InChIKey
OQOCWFFSZSSEDS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cc1Cl)N
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.848637
LogD (pH = 7.4)
3.8526452
Log P
3.8526964
Molar Refractivity
66.6088
Polarizability
25.551264
Polar Surface Area
35.25
Rotatable Bonds
2
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
References
Bioactivity
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