Molecule

ID:27140

General Information
Structure
Molecular Formula
C₇H₇ClN₂O₂
Molecular Mass
186.59568
Exact Mass
186.01960515
Charge
0
InChI
InChI=1S/C7H7ClN2O2/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
InChIKey
MIVLIGXZOGZELS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(Cl)ccc1O
Isomeric Smiles
c1(C(=O)NN)c(ccc(c1)Cl)O
Calculated Properties
JChem
Acid pKa
7.58418
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.4739841
LogD (pH = 7.4)
1.2613858
Log P
1.4778898
Molar Refractivity
46.4062
Polarizability
17.145159
Polar Surface Area
75.35
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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