Molecule

ID:21896

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-2-12-6-7-13-10-5-3-4-9(11)8-10;/h3-5,8H,2,6-7,11H2,1H3;1H
InChIKey
ZRKKYXNFWNWHHU-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)N.Cl
Isomeric Smiles
c1c(N)cccc1OCCOCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2832483
LogD (pH = 7.4)
1.2963119
Log P
1.296481
Molar Refractivity
53.0137
Polarizability
20.201288
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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