Molecule

ID:60320

General Information
Structure
Molecular Formula
C₇H₉ClN₂O₂
Molecular Mass
188.61156
Exact Mass
188.03525522
Charge
0
InChI
InChI=1S/C7H9ClN2O2/c1-2-12-7(11)6-3-4-10(5-8)9-6/h3-4H,2,5H2,1H3
InChIKey
SNNAODJSPFJDQU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccn(n1)CCl
Isomeric Smiles
n1(ccc(n1)C(=O)OCC)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5609978
LogD (pH = 7.4)
1.5609981
Log P
1.5609981
Molar Refractivity
56.0027
Polarizability
17.196173
Polar Surface Area
44.12
Rotatable Bonds
4
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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