Molecule

ID:57653

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)5-2-3-8-9(5)4-7/h2-3H,4H2,1H3
InChIKey
YJAPJBQYSZBBCA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccnn1CCl
Isomeric Smiles
n1(c(ccn1)C(=O)OC)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9383369
LogD (pH = 7.4)
0.93834084
Log P
0.9383409
Molar Refractivity
51.5036
Polarizability
15.378936
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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