Molecule

ID:62804

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂
Molecular Mass
212.71908
Exact Mass
212.10802623
Charge
0
InChI
InChI=1S/C11H16N2.ClH/c1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;/h2-3,8,10,12H,4-7H2,1H3;1H
InChIKey
VYNQGXROFDCNOT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nc1)C1CCNCC1.Cl
Isomeric Smiles
n1c(ccc(c1)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7274762
LogD (pH = 7.4)
-1.0004148
Log P
1.5039428
Molar Refractivity
53.9654
Polarizability
21.140135
Polar Surface Area
24.92
Rotatable Bonds
1
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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