Molecule

ID:46846

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-9(3-1)7-12-8-10-4-5-11-6-10;/h9-11H,1-8H2;1H
InChIKey
YGTDLDZJRAHQME-UHFFFAOYSA-N
Canonic Smiles
C1CC(C1)COCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCC2CCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1894355
LogD (pH = 7.4)
-2.082826
Log P
1.0510423
Molar Refractivity
49.8301
Polarizability
19.910645
Polar Surface Area
21.26
Rotatable Bonds
4
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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