Molecule

ID:80164

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂
Molecular Mass
190.62744
Exact Mass
190.05090528
Charge
0
InChI
InChI=1S/C7H10N2O2.ClH/c1-10-6-4-3-5(8)7(9-6)11-2;/h3-4H,8H2,1-2H3;1H
InChIKey
FITCPYYVAJWASG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(n1)OC)N.Cl
Isomeric Smiles
n1c(c(ccc1OC)N)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8001067
LogD (pH = 7.4)
0.8002185
Log P
0.80021995
Molar Refractivity
42.1549
Polarizability
15.638079
Polar Surface Area
57.37
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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