Molecule

ID:47610

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H15ClN2O/c1-2-13(6-7-14)10-8(11)4-3-5-9(10)12/h3-5,14H,2,6-7,12H2,1H3
InChIKey
RBZJDPYFRMMNNJ-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1c(N)cccc1Cl)CC
Isomeric Smiles
c1(N(CCO)CC)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
15.579109
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5200675
LogD (pH = 7.4)
1.5230758
Log P
1.5231143
Molar Refractivity
61.0327
Polarizability
22.47165
Polar Surface Area
49.49
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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