Molecule

ID:108297

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13(14)15/h1-6H,7H2
InChIKey
PHZIJSANQGZNPP-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc2c1cccc2[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)c1cccc2c1cccc2CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4899487
LogD (pH = 7.4)
3.4899487
Log P
3.4899487
Molar Refractivity
59.6998
Polarizability
23.345703
Polar Surface Area
45.82
Rotatable Bonds
2
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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