Molecule

ID:45666

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNO₃
Molecular Mass
191.6122
Exact Mass
191.03492087
Charge
0
InChI
InChI=1S/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)
InChIKey
LXDUOIDIFSKLNB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCCC1C(=O)O
Isomeric Smiles
N1(C(C(=O)O)CCC1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
3.6173184
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8285037
LogD (pH = 7.4)
-3.2867727
Log P
0.050144676
Molar Refractivity
42.3834
Polarizability
16.64663
Polar Surface Area
57.61
Rotatable Bonds
2
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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