Molecule

ID:61980

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c1-7-6(9)5-2-3-8-4-5;/h5,8H,2-4H2,1H3,(H,7,9);1H
InChIKey
SYMPKWNKZJQQIH-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1CNCC1.Cl
Isomeric Smiles
C(=O)(C1CNCC1)NC.Cl
Calculated Properties
JChem
Acid pKa
16.1932
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2262263
LogD (pH = 7.4)
-3.8569777
Log P
-0.9916956
Molar Refractivity
35.0392
Polarizability
13.794192
Polar Surface Area
41.13
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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