Molecule

ID:88349

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₂
Molecular Mass
188.61156
Exact Mass
188.03525522
Charge
0
InChI
InChI=1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3
InChIKey
BWCCPOQIMGGGQX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)CCl
Isomeric Smiles
n1c(nc(cc1OC)OC)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9924321
LogD (pH = 7.4)
1.9924846
Log P
1.9924853
Molar Refractivity
45.6533
Polarizability
17.345448
Polar Surface Area
44.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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