Molecule

ID:84181

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂NO
Molecular Mass
216.06398
Exact Mass
214.99046921
Charge
0
InChI
InChI=1S/C9H7Cl2NO/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKey
SDFQWEXTYWGXCA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C1=NCCO1
Isomeric Smiles
N1=C(c2ccc(cc2Cl)Cl)OCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.01636
LogD (pH = 7.4)
3.0165555
Log P
3.0165582
Molar Refractivity
52.9466
Polarizability
20.33669
Polar Surface Area
21.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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