Molecule

ID:87221

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₂
Molecular Mass
185.60762
Exact Mass
185.02435618
Charge
0
InChI
InChI=1S/C8H8ClNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3
InChIKey
DLYHOEXVOPOBAJ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)C)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1C)CCl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0138934
LogD (pH = 7.4)
3.0138934
Log P
3.0138934
Molar Refractivity
48.2908
Polarizability
17.663422
Polar Surface Area
45.82
Rotatable Bonds
2
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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