Molecule

ID:36504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂NO₂
Molecular Mass
256.08478
Exact Mass
254.98538383
Charge
0
InChI
InChI=1S/C11H7Cl2NO2/c12-6-10-9(11(15)16-14-10)5-7-2-1-3-8(13)4-7/h1-5H,6H2/b9-5+
InChIKey
UBAKEJDMUKYLOT-WEVVVXLNSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1cccc(c1)Cl
Isomeric Smiles
C\1(=C\c2cc(Cl)ccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8033943
LogD (pH = 7.4)
3.803395
Log P
3.8033953
Molar Refractivity
62.5728
Polarizability
23.892067
Polar Surface Area
38.66
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
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Molecule Details
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References
Bioactivity
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