Molecule

ID:45833

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂
Molecular Mass
219.70842
Exact Mass
219.1026065
Charge
0
InChI
InChI=1S/C10H17NO2.ClH/c12-10(8-3-1-4-8)13-9-5-2-6-11-7-9;/h8-9,11H,1-7H2;1H
InChIKey
CNDKINFJDDAMBF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)C1CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8789648
LogD (pH = 7.4)
-0.60030967
Log P
1.2480743
Molar Refractivity
49.3486
Polarizability
19.986265
Polar Surface Area
38.33
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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