Molecule

ID:26903

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO
Molecular Mass
204.05328
Exact Mass
202.99046921
Charge
0
InChI
InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey
OPZKPLRTPWUXRN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1Cl
Isomeric Smiles
N(c1c(Cl)cccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.203595
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3523445
LogD (pH = 7.4)
2.352338
Log P
2.3523448
Molar Refractivity
50.479
Polarizability
18.97654
Polar Surface Area
29.1
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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