Molecule

ID:31429

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-2-6-13-11(3-1)14-9-10-4-7-12-8-5-10;/h1-3,6,10,12H,4-5,7-9H2;1H
InChIKey
YXNMUIWNBZCYHX-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccccn1.Cl
Isomeric Smiles
n1c(OCC2CCNCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9358056
LogD (pH = 7.4)
-1.473945
Log P
1.2967186
Molar Refractivity
55.6522
Polarizability
21.95742
Polar Surface Area
34.15
Rotatable Bonds
3
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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