Molecule

ID:18287

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c9-5-4-8(11)10-6-2-1-3-7-10;/h1-7,9H2;1H
InChIKey
RVHHBMBLVNWNHC-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCCC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3537388
LogD (pH = 7.4)
-2.1310015
Log P
-0.41968718
Molar Refractivity
44.4604
Polarizability
17.470844
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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