Molecule
ID:19640
General Information
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H14ClNO2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKey
OMEAIUGYVNPPMS-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1N)Cl
Isomeric Smiles
c1(cc(ccc1OCCOCC)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8962232
LogD (pH = 7.4)
1.9004713
Log P
1.9005257
Molar Refractivity
57.8185
Polarizability
22.082937
Polar Surface Area
44.48
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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