Molecule

ID:48846

General Information
Structure
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-9(2,10)8(12)11-6-4-3-5-7-11;/h3-7,10H2,1-2H3;1H
InChIKey
RAVZWSRBJGCAMG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCCC1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4357185
LogD (pH = 7.4)
-0.90826845
Log P
0.34483021
Molar Refractivity
48.9682
Polarizability
19.311396
Polar Surface Area
46.33
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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