Molecule

ID:36509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₃NO₂
Molecular Mass
290.52984
Exact Mass
288.94641148
Charge
0
InChI
InChI=1S/C11H6Cl3NO2/c12-5-10-7(11(16)17-15-10)4-6-8(13)2-1-3-9(6)14/h1-4H,5H2/b7-4+
InChIKey
WWYGWJFGOYBOEJ-QPJJXVBHSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1c(Cl)cccc1Cl
Isomeric Smiles
C\1(=C\c2c(Cl)cccc2Cl)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4074397
LogD (pH = 7.4)
4.4074397
Log P
4.4074397
Molar Refractivity
67.3776
Polarizability
25.850689
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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