Molecule

ID:71024

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(8)4-2-3-5-7;/h2-5,8H2,1H3;1H
InChIKey
OPUJUITUYWGUEP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(N)CCCC1.Cl
Isomeric Smiles
C1(CCCC1)(C(=O)OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5746436
LogD (pH = 7.4)
0.095824175
Log P
0.58126754
Molar Refractivity
37.2255
Polarizability
15.197755
Polar Surface Area
52.32
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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