Molecule

ID:37439

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H15ClN2O/c1-4-9-7(2)12-13(8(9)3)6-5-10(11)14/h4-6H2,1-3H3
InChIKey
MCXPMLZWZXMQLM-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)nn(c1C)CCC(=O)Cl
Isomeric Smiles
n1(c(c(c(n1)C)CC)C)CCC(=O)Cl
Calculated Properties
JChem
Acid pKa
18.158352
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9357765
LogD (pH = 7.4)
1.9383205
Log P
1.9383531
Molar Refractivity
68.9873
Polarizability
21.748848
Polar Surface Area
34.89
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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