Molecule

ID:57654

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂
Molecular Mass
174.58498
Exact Mass
174.01960515
Charge
0
InChI
InChI=1S/C6H7ClN2O2/c1-11-6(10)5-2-3-9(4-7)8-5/h2-3H,4H2,1H3
InChIKey
PZVAPYGLDKEHMB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccn(n1)CCl
Isomeric Smiles
n1c(ccn1CCl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2041899
LogD (pH = 7.4)
1.2041901
Log P
1.2041901
Molar Refractivity
51.2541
Polarizability
15.382196
Polar Surface Area
44.12
Rotatable Bonds
3
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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