Molecule

ID:19563

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H14ClNO2/c1-2-13-6-7-14-10-8(11)4-3-5-9(10)12/h3-5H,2,6-7,12H2,1H3
InChIKey
CCKMPCVBIDIVIG-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8941896
LogD (pH = 7.4)
1.9004453
Log P
1.9005257
Molar Refractivity
57.8185
Polarizability
22.108656
Polar Surface Area
44.48
Rotatable Bonds
5
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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