Molecule

ID:62369

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c1-6(5(7)9)3-2-4-8-6;/h8H,2-4H2,1H3,(H2,7,9);1H
InChIKey
LERNCADHQFCKNE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(C)CCCN1.Cl
Isomeric Smiles
C(=O)(C1(NCCC1)C)N.Cl
Calculated Properties
JChem
Acid pKa
16.356768
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.685114
LogD (pH = 7.4)
-2.9127667
Log P
-0.47131813
Molar Refractivity
34.5998
Polarizability
13.794192
Polar Surface Area
55.12
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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