Molecule

ID:85761

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO
Molecular Mass
188.01082
Exact Mass
186.95916908
Charge
0
InChI
InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey
XEFUJGURFLOFAN-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
N(=C=O)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.090891
LogD (pH = 7.4)
3.090891
Log P
3.090891
Molar Refractivity
44.7396
Polarizability
16.488392
Polar Surface Area
29.43
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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