Molecule

ID:47091

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-10(6-11-5-1)8-12-7-9-3-4-9;/h9-11H,1-8H2;1H
InChIKey
GBFFCDMVDWXVNX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COCC1CC1.Cl
Isomeric Smiles
C1CC1COCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1781898
LogD (pH = 7.4)
-1.6632494
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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