Molecule

ID:36503

General Information
Structure
Molecular Formula
C₁₁H₇Cl₂NO₂
Molecular Mass
256.08478
Exact Mass
254.98538383
Charge
0
InChI
InChI=1S/C11H7Cl2NO2/c12-6-10-8(11(15)16-14-10)5-7-3-1-2-4-9(7)13/h1-5H,6H2/b8-5+
InChIKey
HCDQMGBXFFZWHX-VMPITWQZSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccccc1Cl
Isomeric Smiles
C\1(=C\c2c(Cl)cccc2)/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
23.897907
Polar Surface Area
38.66
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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