Molecule

ID:48795

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-8-3-2-6-11(7-8)9(12)4-5-10;/h8H,2-7,10H2,1H3;1H
InChIKey
SKQOHRMFXORYOW-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCC(C1)C.Cl
Isomeric Smiles
N1(C(=O)CCN)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9887662
LogD (pH = 7.4)
-1.7660285
Log P
-0.054714344
Molar Refractivity
48.932
Polarizability
19.311396
Polar Surface Area
46.33
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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