Molecule

ID:88375

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₃
Molecular Mass
187.58044
Exact Mass
187.00362074
Charge
0
InChI
InChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChIKey
ULYZTHQGJXPEFT-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(Cl)ccc1[N+](=O)[O-]
Isomeric Smiles
Clc1cc(c(cc1)[N+](=O)[O-])CO
Calculated Properties
JChem
Acid pKa
14.150788
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7499249
LogD (pH = 7.4)
1.7499248
Log P
1.7499249
Molar Refractivity
43.9992
Polarizability
16.645205
Polar Surface Area
63.37
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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