Molecule

ID:15390

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀ClNO
Molecular Mass
181.7035
Exact Mass
181.12334195
Charge
0
InChI
InChI=1S/C8H19NO.ClH/c1-4-5-10-6-8(9)7(2)3;/h7-8H,4-6,9H2,1-3H3;1H
InChIKey
JUFUYPSAUHJNDH-UHFFFAOYSA-N
Canonic Smiles
CCCOCC(C(C)C)N.Cl
Isomeric Smiles
C(N)(C(C)C)COCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4988511
LogD (pH = 7.4)
-0.79294765
Log P
1.5109662
Molar Refractivity
43.6493
Polarizability
17.689554
Polar Surface Area
35.25
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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