Molecule

ID:47421

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO
Molecular Mass
179.68762
Exact Mass
179.10769188
Charge
0
InChI
InChI=1S/C8H17NO.ClH/c1-7(2)10-8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKey
AMLQRNZJKHGYQI-UHFFFAOYSA-N
Canonic Smiles
CC(OC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(OC(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6782434
LogD (pH = 7.4)
-1.9898219
Log P
0.5416906
Molar Refractivity
42.3363
Polarizability
16.955612
Polar Surface Area
21.26
Rotatable Bonds
2
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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