Molecule

ID:84299

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₃
Molecular Mass
187.58044
Exact Mass
187.00362074
Charge
0
InChI
InChI=1S/C7H6ClNO3/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
InChIKey
VGDCRPRQQPVICX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C(=O)NO)Cl
Isomeric Smiles
O=C(c1cc(ccc1O)Cl)NO
Calculated Properties
JChem
Acid pKa
7.4914985
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.7668124
LogD (pH = 7.4)
1.5155511
Log P
1.7711837
Molar Refractivity
43.6867
Polarizability
16.401966
Polar Surface Area
69.56
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
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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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