Molecule

ID:46337

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO
Molecular Mass
203.70902
Exact Mass
203.10769188
Charge
0
InChI
InChI=1S/C10H17NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h1,10-11H,3-9H2;1H
InChIKey
AAZDGQWYXYFRKM-UHFFFAOYSA-N
Canonic Smiles
C#CCOCCC1CCCCN1.Cl
Isomeric Smiles
C(#C)COCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2732422
LogD (pH = 7.4)
-1.8162783
Log P
0.958322
Molar Refractivity
49.9947
Polarizability
19.542713
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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