Molecule

ID:21113

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO
Molecular Mass
207.74078
Exact Mass
207.13899201
Charge
0
InChI
InChI=1S/C10H21NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h10-11H,2-9H2,1H3;1H
InChIKey
DPXPBSZVLDZKEZ-UHFFFAOYSA-N
Canonic Smiles
CCCOCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCCC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6219957
LogD (pH = 7.4)
-1.1650531
Log P
1.6095693
Molar Refractivity
51.6871
Polarizability
20.644295
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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