Molecule

ID:20048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H14ClNO2/c1-13-5-2-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3
InChIKey
QVGFYLYLJLNCMC-UHFFFAOYSA-N
Canonic Smiles
COCCCOc1ccc(cc1Cl)N
Isomeric Smiles
c1(cc(N)ccc1OCCCOC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5783818
LogD (pH = 7.4)
1.6033496
Log P
1.6036775
Molar Refractivity
57.9353
Polarizability
22.106945
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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