Molecule

ID:48531

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)8-6-5-7-12-9(8)11/h5-7H,3-4H2,1-2H3
InChIKey
UEKCGMIHMFNDNI-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccnc1Cl)CC
Isomeric Smiles
c1(C(=O)N(CC)CC)c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5914023
LogD (pH = 7.4)
1.5914036
Log P
1.5914036
Molar Refractivity
58.1362
Polarizability
21.598215
Polar Surface Area
33.2
Rotatable Bonds
3
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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