Molecule

ID:46346

General Information
Structure
Molecular Formula
C₁₀H₂₂ClNO
Molecular Mass
207.74078
Exact Mass
207.13899201
Charge
0
InChI
InChI=1S/C10H21NO.ClH/c1-9(2)4-6-12-8-10-3-5-11-7-10;/h9-11H,3-8H2,1-2H3;1H
InChIKey
YTASPXKTPZFCDO-UHFFFAOYSA-N
Canonic Smiles
CC(CCOCC1CNCC1)C.Cl
Isomeric Smiles
N1CC(COCCC(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8036634
LogD (pH = 7.4)
-1.6970538
Log P
1.4368145
Molar Refractivity
51.7093
Polarizability
20.644295
Polar Surface Area
21.26
Rotatable Bonds
5
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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