Molecule

ID:103949

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN
Molecular Mass
203.75208
Exact Mass
203.14407739
Charge
0
InChI
InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H
InChIKey
PKVZBNCYEICAQP-UHFFFAOYSA-N
Canonic Smiles
CNC1(C)C2CCC(C1(C)C)C2.Cl
Isomeric Smiles
Cl.CNC1(C)C2CCC(C2)C1(C)C
Calculated Properties
Provided by Enamine
CLogP
2.83
H Donor
1
Polar Surface Area
12.03
Rotatable Bonds
1
JChem
Polar Surface Area
12.03
H Donor
1
H Acceptors
1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Log P
2.37
LogD (pH = 5.5)
-0.87
LogD (pH = 7.4)
-0.67
Molar Refractivity
51.83
Polarizability
21.02
LOG S
-1.73
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
References
Bioactivity
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