Molecule

ID:48915

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O
Molecular Mass
232.75024
Exact Mass
232.13424098
Charge
0
InChI
InChI=1S/C11H20N2O.ClH/c14-11(10-6-5-7-12-10)13-8-3-1-2-4-9-13;/h10,12H,1-9H2;1H
InChIKey
XZUGTPHYTVKAPX-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN1)N1CCCCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3687694
LogD (pH = 7.4)
-1.5200901
Log P
0.8382029
Molar Refractivity
56.4229
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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