Molecule

ID:97040

General Information
Structure
Molecular Formula
C₆H₁₄ClFN₂O₂
Molecular Mass
200.6389632
Exact Mass
200.0727836
Charge
0
InChI
InChI=1S/C6H13FN2O2.ClH/c7-4(3-8)1-2-5(9)6(10)11;/h4-5H,1-3,8-9H2,(H,10,11);1H
InChIKey
KTFUKZRKBXLIKP-UHFFFAOYSA-N
Canonic Smiles
NCC(CCC(C(=O)O)N)F.Cl
Isomeric Smiles
NCC(CCC(C(=O)O)N)F.Cl
Calculated Properties
JChem
Acid pKa
2.536294
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-6.0091276
LogD (pH = 7.4)
-4.5820136
Log P
-3.4294827
Molar Refractivity
37.4789
Polarizability
15.159868
Polar Surface Area
89.34
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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