Molecule

ID:45841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂
Molecular Mass
219.70842
Exact Mass
219.1026065
Charge
0
InChI
InChI=1S/C10H17NO2.ClH/c12-10(9-2-1-3-9)13-7-8-4-5-11-6-8;/h8-9,11H,1-7H2;1H
InChIKey
YMEUJWIVTBMPMA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)OCC1CCNC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)C1CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3922145
LogD (pH = 7.4)
-2.2854142
Log P
0.8482602
Molar Refractivity
49.6876
Polarizability
19.986265
Polar Surface Area
38.33
Rotatable Bonds
4
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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