Molecule

ID:45817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂
Molecular Mass
219.70842
Exact Mass
219.1026065
Charge
0
InChI
InChI=1S/C10H17NO2.ClH/c12-10(9-1-2-9)13-7-8-3-5-11-6-4-8;/h8-9,11H,1-7H2;1H
InChIKey
JFLUBISFQGIEQW-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)OCC1CCNCC1.Cl
Isomeric Smiles
C1(C(=O)OCC2CCNCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4247174
LogD (pH = 7.4)
-1.9639459
Log P
0.8067035
Molar Refractivity
49.7864
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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