Molecule

ID:77647

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClINO₂
Molecular Mass
297.47757
Exact Mass
296.90535409
Charge
0
InChI
InChI=1S/C7H5ClINO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3
InChIKey
GFCNHHXMRPACAL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1I)Cl)[N+](=O)[O-]
Isomeric Smiles
Ic1c(cc(cc1Cl)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9596405
LogD (pH = 7.4)
3.9596405
Log P
3.9596405
Molar Refractivity
56.5912
Polarizability
21.306608
Polar Surface Area
45.82
Rotatable Bonds
1
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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