Molecule

ID:75341

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-2-9-5-3-4-7(6-9)8-10;/h10H,2-6H2,1H3;1H
InChIKey
TYHIWTMODLXOMO-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC/C(=N\O)/C1.Cl
Isomeric Smiles
N1(CC)CCC/C(=N\O)/C1.Cl
Calculated Properties
JChem
Acid pKa
11.732152
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8600061
LogD (pH = 7.4)
-0.0979384
Log P
0.591069
Molar Refractivity
41.0894
Polarizability
15.840032
Polar Surface Area
35.83
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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