Molecule

ID:19561

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H15ClN2O/c1-13(2)6-7-14-10-8(11)4-3-5-9(10)12/h3-5H,6-7,12H2,1-2H3
InChIKey
OTUJFXFCHUKLHZ-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1c(N)cccc1Cl)C
Isomeric Smiles
c1(c(N)cccc1Cl)OCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4472293
LogD (pH = 7.4)
0.25132886
Log P
1.6093378
Molar Refractivity
60.0455
Polarizability
22.924606
Polar Surface Area
38.49
Rotatable Bonds
4
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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