Molecule

ID:48965

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-3-4-8-13(2)11(14)10-6-5-7-12-9-10;/h10,12H,3-9H2,1-2H3;1H
InChIKey
OCUNKWOUGQGOLQ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C1CCCNC1)C.Cl
Isomeric Smiles
C(=O)(C1CNCCC1)N(CCCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.185549
LogD (pH = 7.4)
-1.167123
Log P
1.0004481
Molar Refractivity
58.4105
Polarizability
22.99533
Polar Surface Area
32.34
Rotatable Bonds
4
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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