Molecule

ID:47423

General Information
Structure
Molecular Formula
C₉H₂₀ClNO
Molecular Mass
193.7142
Exact Mass
193.12334195
Charge
0
InChI
InChI=1S/C9H19NO.ClH/c1-8(2)11-7-9-3-5-10-6-4-9;/h8-10H,3-7H2,1-2H3;1H
InChIKey
RMQJGAIWOGNYIP-UHFFFAOYSA-N
Canonic Smiles
CC(OCC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(COC(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.22913
LogD (pH = 7.4)
-1.7683755
Log P
1.0022913
Molar Refractivity
47.1543
Polarizability
18.799707
Polar Surface Area
21.26
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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