Molecule

ID:46840

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO
Molecular Mass
207.74078
Exact Mass
207.13899201
Charge
0
InChI
InChI=1S/C10H21NO.ClH/c1-9(2)12-7-5-10-4-3-6-11-8-10;/h9-11H,3-8H2,1-2H3;1H
InChIKey
MZVNGJOYRIXLSB-UHFFFAOYSA-N
Canonic Smiles
CC(OCCC1CCCNC1)C.Cl
Isomeric Smiles
N1CC(CCOC(C)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7874624
LogD (pH = 7.4)
-1.4114195
Log P
1.4468601
Molar Refractivity
51.7553
Polarizability
20.644295
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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