Molecule

ID:45763

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-2-7(9)10-6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKey
YWIDLYCAGHUJJX-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0165381
LogD (pH = 7.4)
-2.384914
Log P
0.20688264
Molar Refractivity
37.3307
Polarizability
15.197755
Polar Surface Area
38.33
Rotatable Bonds
3
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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