Molecule

ID:115241

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂
Molecular Mass
174.58498
Exact Mass
174.01960515
Charge
0
InChI
InChI=1S/C6H7ClN2O2/c1-9-3-4(5(7)10)6(8-9)11-2/h3H,1-2H3
InChIKey
FHDZTFQSEWOZHQ-UHFFFAOYSA-N
Canonic Smiles
COc1nn(cc1C(=O)Cl)C
Isomeric Smiles
c1(c(nn(c1)C)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0288033
LogD (pH = 7.4)
1.0288047
Log P
1.0288047
Molar Refractivity
52.8528
Polarizability
15.323683
Polar Surface Area
44.12
Rotatable Bonds
2
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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