Molecule

ID:89388

General Information
Structure
Molecular Formula
C₈H₁₀ClNO₂
Molecular Mass
187.6235
Exact Mass
187.04000625
Charge
0
InChI
InChI=1S/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
InChIKey
OLCMNCWEUMBNIS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1N)Cl
Isomeric Smiles
Nc1c(cc(c(c1)Cl)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4095881
LogD (pH = 7.4)
1.4327189
Log P
1.433022
Molar Refractivity
48.4896
Polarizability
18.42371
Polar Surface Area
44.48
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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