Molecule

ID:45765

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-2-8(11)10-7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
InChIKey
AEWBGTYXABSUNA-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)CC.Cl
Calculated Properties
JChem
Acid pKa
16.159521
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6825228
LogD (pH = 7.4)
-2.998216
Log P
-0.4623182
Molar Refractivity
44.1459
Polarizability
17.470844
Polar Surface Area
41.13
Rotatable Bonds
2
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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