Molecule

ID:48760

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-9-7-8(11)10-5-3-2-4-6-10;/h9H,2-7H2,1H3;1H
InChIKey
OELBRVNZGVZXGS-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCCCC1.Cl
Isomeric Smiles
N1(C(=O)CNC)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2000268
LogD (pH = 7.4)
-1.6485653
Log P
-0.22411951
Molar Refractivity
44.5356
Polarizability
17.470844
Polar Surface Area
32.34
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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