Molecule

ID:48911

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O
Molecular Mass
232.75024
Exact Mass
232.13424098
Charge
0
InChI
InChI=1S/C11H20N2O.ClH/c1-9-4-3-7-13(8-9)11(14)10-5-2-6-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKey
POWJXUBXAIGISH-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C(=O)C1CCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCC2)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4483647
LogD (pH = 7.4)
-1.5996797
Log P
0.7586071
Molar Refractivity
56.2935
Polarizability
22.265976
Polar Surface Area
32.34
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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