Molecule

ID:47092

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO
Molecular Mass
177.67174
Exact Mass
177.09204182
Charge
0
InChI
InChI=1S/C8H15NO.ClH/c1-2-7(1)6-10-8-3-4-9-5-8;/h7-9H,1-6H2;1H
InChIKey
JCAPRFUBJRBSFY-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)OCC1CC1.Cl
Isomeric Smiles
C1(CC1)COC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.745245
LogD (pH = 7.4)
-2.3643067
Log P
0.48892516
Molar Refractivity
40.2455
Polarizability
16.22448
Polar Surface Area
21.26
Rotatable Bonds
3
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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