Molecule

ID:55221

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O₂
Molecular Mass
192.64332
Exact Mass
192.06655535
Charge
0
InChI
InChI=1S/C7H12N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h1-5,8H2;1H
InChIKey
HTDGUIKWOZJYMU-UHFFFAOYSA-N
Canonic Smiles
NCCCN1C(=O)CCC1=O.Cl
Isomeric Smiles
N1(C(=O)CCC1=O)CCCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.5153127
LogD (pH = 7.4)
-3.7906408
Log P
-1.5068196
Molar Refractivity
39.9933
Polarizability
15.7404175
Polar Surface Area
63.4
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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