Molecule

ID:53516

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-5-3-2-4-6(8-5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
InChIKey
ULNCJZLBMVNKCG-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1)C(=O)O.Cl
Isomeric Smiles
N1C(C(=O)O)CCCC1C.Cl
Calculated Properties
JChem
Acid pKa
2.1519268
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7074949
LogD (pH = 7.4)
-1.7076637
Log P
-1.7073934
Molar Refractivity
37.0841
Polarizability
14.9515705
Polar Surface Area
49.33
Rotatable Bonds
1
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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