Molecule

ID:48727

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-11(9(12)6-10)7-8-2-4-13-5-3-8;/h8H,2-7,10H2,1H3;1H
InChIKey
ZUOUVGMRFKKVTP-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N(CC1CCOCC1)C.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5734324
LogD (pH = 7.4)
-1.889389
Log P
-1.0852792
Molar Refractivity
50.9125
Polarizability
20.017399
Polar Surface Area
55.56
Rotatable Bonds
3
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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