Molecule

ID:48536

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H13ClN2O2/c1-2-13(6-7-14)10(15)8-4-3-5-12-9(8)11/h3-5,14H,2,6-7H2,1H3
InChIKey
VXGAQPOFTIXJKP-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1cccnc1Cl)CC
Isomeric Smiles
c1(C(=O)N(CCO)CC)c(nccc1)Cl
Calculated Properties
JChem
Acid pKa
15.573658
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5444923
LogD (pH = 7.4)
0.5444936
Log P
0.5444936
Molar Refractivity
59.6799
Polarizability
22.25971
Polar Surface Area
53.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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