Molecule

ID:46336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO
Molecular Mass
203.70902
Exact Mass
203.10769188
Charge
0
InChI
InChI=1S/C10H17NO.ClH/c1-2-7-12-8-5-10-4-3-6-11-9-10;/h1,10-11H,3-9H2;1H
InChIKey
NVQZASJRSYJCLD-UHFFFAOYSA-N
Canonic Smiles
C#CCOCCC1CCCNC1.Cl
Isomeric Smiles
C(#C)COCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3327622
LogD (pH = 7.4)
-1.9567193
Log P
0.90156007
Molar Refractivity
50.1681
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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