Molecule

ID:71482

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO
Molecular Mass
217.7356
Exact Mass
217.12334195
Charge
0
InChI
InChI=1S/C11H19NO.ClH/c12-6-11-3-7-1-8(4-11)10(13)9(2-7)5-11;/h7-10,13H,1-6,12H2;1H
InChIKey
KLDHFVZEQIBFAV-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C2)C(C(C1)C3)O.Cl
Isomeric Smiles
C1(C2CC3(CC1CC(C2)C3)CN)O.Cl
Calculated Properties
JChem
Acid pKa
19.263638
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4454017
LogD (pH = 7.4)
-1.8230908
Log P
0.56961966
Molar Refractivity
51.6188
Polarizability
20.948929
Polar Surface Area
46.25
Rotatable Bonds
1
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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