Molecule

ID:86144

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO₂
Molecular Mass
187.6235
Exact Mass
187.04000625
Charge
0
InChI
InChI=1S/C8H10ClNO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,10H2,1-2H3
InChIKey
IHGSJUGRPUIDRO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(c(c1)Cl)N
Isomeric Smiles
Nc1c(cc(cc1OC)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4269884
LogD (pH = 7.4)
1.4329455
Log P
1.433022
Molar Refractivity
48.4896
Polarizability
18.418547
Polar Surface Area
44.48
Rotatable Bonds
2
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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