Molecule

ID:65355

General Information
Structure
Molecular Formula
C₈H₁₆ClNO
Molecular Mass
177.67174
Exact Mass
177.09204182
Charge
0
InChI
InChI=1S/C8H15NO.ClH/c1-2-8(10-7-1)3-5-9-6-4-8;/h9H,1-7H2;1H
InChIKey
LAAJAVVOPJHOHB-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)CCCO2.Cl
Isomeric Smiles
C1CCC2(O1)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1213858
LogD (pH = 7.4)
-2.422842
Log P
0.09787381
Molar Refractivity
40.5995
Polarizability
16.22448
Polar Surface Area
21.26
Rotatable Bonds
0
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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